SCHEMBL8501470

SCHEMBL8501470

C[C@@H](CN(Cc1ccccc1C(F)(F)F)C(=S)Nc1cccc(F)c1)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.43
FNTB P49356 12/20 0.43
PGGT1B P53609 6/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8484268 0.94 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8499089 0.93 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8637346 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8637348 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486406 0.89 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486401 0.89 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8480881 0.89 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8480878 0.89 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498512 0.89 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501806 0.87 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2

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