SCHEMBL6587015

SCHEMBL6587015

CCOC(=O)C(C)(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
THRB P10828 1/20 0.47
RORC P51449 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
FBP1 P09467 2/20 0.47
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL9587613 0.83 KDM4E (0.52) KDM4ENPSR1THRBRORCSMN1; SMN2
SCHEMBL4420346 0.81 SMN1; SMN2 (0.64) KDM4ENPSR1RORCSMN1; SMN2KMT2A
SCHEMBL14850045 0.80 RORC (0.54) KDM4ENPSR1RORCSMN1; SMN2KMT2A
SCHEMBL10558526 0.79 L3MBTL1 (0.49) KDM4ESMN1; SMN2KMT2APOLBGAA
SCHEMBL20051369 0.77 KMT2A (0.52) KDM4ENPSR1RORCSMN1; SMN2KMT2A
SCHEMBL5682261 0.76 NPSR1 (0.48) NPSR1MAPTLMNATP53CYP1A2
SCHEMBL7900598 0.75 NPSR1 (0.54) KDM4ENPSR1RORCSMN1; SMN2KMT2A
SCHEMBL25776543 0.74 KDM4E (0.53) KDM4ENPSR1RORCSMN1; SMN2KMT2A
SCHEMBL6568119 0.74 KDM4E (0.58) KDM4ENPSR1RORCSMN1; SMN2KMT2A
SCHEMBL6759109 0.73 GAA (0.56) KDM4ENPSR1RORCSMN1; SMN2KMT2A

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 12 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-1171427-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2002-01-16 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
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-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO 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
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