SCHEMBL6593305

SCHEMBL6593305

COc1ccc(C)cc1-c1noc2ccc(N)c(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NTRK1 P04629 2/20 0.35
LCK P06239 2/20 0.35
CSF1R P07333 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
MAP4K2 Q12851 2/20 0.35
ROCK1 Q13464 2/20 0.35
AURKB Q96GD4 2/20 0.35
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL6593315 0.81 SRC (0.42) ALDH1A1CYP3A4MAPTTP53KDM4E
SCHEMBL6589259 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPTKDM4ELMNA
SCHEMBL6591274 0.70 HTT (0.56) ALDH1A1LMNASMN1; SMN2
SCHEMBL18542618 0.68 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPTTHRBTP53
SCHEMBL3457079 0.65 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTKDM4ELMNA
SCHEMBL14420828 0.65 AGPAT2 (0.43) ALDH1A1CYP3A4MAPTTHRBTP53
SCHEMBL5989215 0.63 KAT6A (0.55) ALDH1A1MAPTTP53KDM4ESMN1; SMN2
SCHEMBL27985066 0.62 MAPT (0.54) ALDH1A1CYP3A4MAPTTHRBKDM4E
SCHEMBL19782792 0.62 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPTTHRBKDM4E
SCHEMBL15314278 0.62 BRD4 (0.50) ACHEBRD4

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 9 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-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
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