SCHEMBL8501376

SCHEMBL8501376

CC[C@H](C)[C@@H](CNCc1ccccc1C(F)(F)F)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
FNTA P49354 13/20 0.43
FNTB P49356 13/20 0.43
PGGT1B P53609 10/20 0.42
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8501373 1.00 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8485058 0.93 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8485059 0.93 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8609958 0.90 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8607023 0.90 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8496077 0.88 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8496082 0.88 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8499308 0.87 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8499303 0.87 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8387732 0.87 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B

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