SCHEMBL8482193

SCHEMBL8482193

CC(C)[C@@H](CN(Cc1ccccc1C(F)(F)F)C(=S)NC1CCCC1)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.39
FNTB P49356 18/20 0.39
PGGT1B P53609 13/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KCNH2 Q12809 2/20 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
SCHEMBL8491868 0.99 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8503568 0.94 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8497208 0.94 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8668598 0.92 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8668595 0.92 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8481353 0.91 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8500407 0.91 FNTA (0.38) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8581910 0.89 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8488983 0.87 CYP11B1 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8488985 0.87 CYP11B1 (0.40) 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