SCHEMBL8501060

SCHEMBL8501060

CC(C)c1ccc(NC(=S)N(Cc2cccc(Cl)c2Cl)C[C@@H](NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
FNTA P49354 9/20 0.40
FNTB P49356 9/20 0.40
PGGT1B P53609 6/20 0.40
CACNA1H O95180 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
SCHEMBL8661967 0.95 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8661965 0.95 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498829 0.92 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8499663 0.90 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8662400 0.89 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8484550 0.89 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8662402 0.89 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486425 0.89 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486428 0.89 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489869 0.89 CYP11B1 (0.41) 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