SCHEMBL8499656

SCHEMBL8499656

CC(C)(CN(Cc1ccccc1C(F)(F)F)C(=S)Nc1cccc(Cl)c1)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.39
FNTB P49356 11/20 0.39
PGGT1B P53609 8/20 0.39
KCNH2 Q12809 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NRAS P01111 1/20 0.38
HRAS P01112 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
SCHEMBL8502968 0.94 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498512 0.94 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8499371 0.94 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501521 0.91 CYP11B1 (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8500435 0.90 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8491328 0.90 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501334 0.90 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8498417 0.90 CYP11B1 (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498193 0.89 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8493626 0.89 CYP11B1 (0.41) 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