SCHEMBL8501664

SCHEMBL8501664

C=CCNC(=S)N(Cc1cccc(Cl)c1Cl)C[C@H](C)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
FNTA P49354 12/20 0.41
FNTB P49356 12/20 0.41
PGGT1B P53609 6/20 0.41

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
SCHEMBL8664357 0.94 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489869 0.94 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501176 0.93 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8497333 0.93 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489741 0.92 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8497908 0.92 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8496206 0.91 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8487916 0.89 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8487917 0.89 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486569 0.88 CYP11B1 (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