SCHEMBL8499175

SCHEMBL8499175

COc1ccc(NC(=S)N(Cc2cccc(Cl)c2Cl)CC(C)(C)NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
FNTA P49354 9/20 0.41
FNTB P49356 9/20 0.41
PGGT1B P53609 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8500957 0.93 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8497691 0.93 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8485205 0.92 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8582438 0.90 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8582869 0.90 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501334 0.90 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8606558 0.90 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8493626 0.89 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8494113 0.88 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8503532 0.88 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 WO disclosed