SCHEMBL8637484

SCHEMBL8637484

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.40
FNTB P49356 15/20 0.40
PGGT1B P53609 8/20 0.40
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 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
SCHEMBL8494361 0.94 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8494116 0.94 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8495036 0.93 CYP11B1 (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8484268 0.93 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498786 0.92 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8490273 0.91 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8483643 0.91 CYP11B1 (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8492544 0.89 CYP11B1 (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8488145 0.88 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8488149 0.88 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