SCHEMBL6586814

SCHEMBL6586814

Cc1nsc2cc(N)c([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 7/20 0.39
TDP1 Q9NUW8 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.35
MPI P34949 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2260519 0.81 CA12 (0.43) TSHRALDH1A1CYP3A4LMNAMPI
SCHEMBL6587503 0.76 TUBB4A (0.39) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL6587496 0.76 TSHR (0.43) TSHRCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12279153 0.74 MAPT (0.47) TSHRCYP1A2CYP2C9CYP2C19GAA
SCHEMBL4040996 0.71 SMN1; SMN2 (0.46) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL31165708 0.71 SMN1; SMN2 (0.46) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL30690121 0.69 TSHR (0.44) TSHRCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL596168 0.69 MAPT (0.62) TSHRCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL19511923 0.69 MAPT (0.62) TSHRCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL348272 0.68 TSHR (0.59) TSHRCYP1A2CYP2C9CYP2C19MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150962-B1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID CO (US) 2004-04-28 EP disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-1177193-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
EP-1171427-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2002-01-16 EP disclosed
EP-1169308-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
US-6313295-B1 REACTING CARBAMATE WITH AMINE; CYCLIZATION, ALKYLATION BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
US-6191275-B1 REACTING ETHYL 3-((N,N-DIMETHYLCARBAMOYL)AMINO)-4,4,4-TRIFLUOROCROTONATE, FOR EXAMPLE WITH AMINO COMPOUNDS IN ACID OR BASE TO FORM HERBICIDES OF FORMULA 1-(OPTIONALLY ALKYL), 3-(SUBSTITUTED),6-(PERFLUOROALKYL)-1H,4H-PYRIMIDINE-2,4-DIONE AMERICAN CYANAMID COMPANY 2001-02-20 US disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
CN-1273585-A Substituted 3- (1, 2-benzisothiazole or isoxazol-5-yl) -substituted pyrimidines as herbicides AMERICAN CYANAMID CO (US) 2000-11-15 CN disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 US disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049002-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed