SCHEMBL8637488

SCHEMBL8637488

Cc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)C[C@@H](NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)C(C)C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.39
FNTB P49356 13/20 0.39
PGGT1B P53609 10/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8637483 1.00 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8634544 0.95 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8634542 0.95 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498759 0.92 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501475 0.91 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8491433 0.90 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8489468 0.88 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8489464 0.88 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8494065 0.87 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8500009 0.86 FNTA (0.39) 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