SCHEMBL6589259

SCHEMBL6589259

COc1ccc(C)cc1-c1noc2ccc(N)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
USP2 O75604 1/20 0.38
ACHE P22303 1/20 0.38
BRD4 O60885 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL6589268 0.80 ESR1 (0.44) ALDH1A1MAPTKDM4EUSP2ESR1
SCHEMBL6591274 0.79 HTT (0.56) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL6593305 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPTKDM4ESMN1; SMN2
SCHEMBL6589014 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPTKDM4ESMN1; SMN2
SCHEMBL15081288 0.73 MAPT (0.40) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL6573395 0.71 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTKDM4EHSD17B10
SCHEMBL1724285 0.70 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL6011391 0.70 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPTKDM4ESMN1; SMN2
SCHEMBL2784662 0.70 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTKDM4EHSD17B10
SCHEMBL5334311 0.69 NPC1 (0.42) ALDH1A1MAPTKDM4EHPGDRAB9A

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 15 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-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
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-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