SCHEMBL8486569

SCHEMBL8486569

C[C@@H](CN(Cc1cccc(Cl)c1Cl)C(=S)Nc1ccccc1Cl)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
FNTA P49354 13/20 0.42
FNTB P49356 13/20 0.42
PGGT1B P53609 7/20 0.42

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
SCHEMBL8664372 0.95 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8664370 0.95 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486994 0.93 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8492840 0.93 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8494357 0.92 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8632373 0.92 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8496206 0.91 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489741 0.90 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8496493 0.90 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8496499 0.90 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