SCHEMBL8637346

SCHEMBL8637346

CC(CN(Cc1ccccc1C(F)(F)F)C(=S)Nc1ccc(C(C)C)cc1)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.41
FNTB P49356 9/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
PGGT1B P53609 6/20 0.38
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
SCHEMBL8637348 1.00 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8486401 0.93 CYP11B1 (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8486406 0.93 CYP11B1 (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8480878 0.90 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8480881 0.90 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8501470 0.90 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8484268 0.90 FNTA (0.40) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8498417 0.90 CYP11B1 (0.39) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8501806 0.89 CYP11B1 (0.42) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8501802 0.89 CYP11B1 (0.42) FNTAFNTBCYP11B1CYP11B2PGGT1B

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