SCHEMBL8498592

SCHEMBL8498592

COc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)C[C@H](CC(C)C)NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
FNTA P49354 10/20 0.40
FNTB P49356 10/20 0.40
PGGT1B P53609 7/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8498589 1.00 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486401 0.93 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486406 0.93 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498744 0.93 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498742 0.93 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489464 0.91 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489468 0.91 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489925 0.89 FNTA (0.38) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501590 0.89 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498038 0.89 FNTA (0.39) 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