SCHEMBL7755338

SCHEMBL7755338

COc1cccc(CCC(=O)NC(Cc2ccc(C#N)c(F)c2)c2cncn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.41
FNTA P49354 5/20 0.38
FNTB P49356 5/20 0.38
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PGGT1B P53609 1/20 0.38
EP300 Q09472 2/20 0.37

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
SCHEMBL7754126 0.86 PTPRB (0.38) PTPRBFNTAFNTBKDM4EMEN1
SCHEMBL7754130 0.83 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7236823 0.77 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL7755612 0.76 FNTA (0.39) FNTAFNTBPGGT1BEP300
SCHEMBL8194918 0.75 FNTA (0.40) FNTAFNTB
SCHEMBL1197785 0.75 F11 (0.60) PTPRBFFAR1KDM4EMEN1ALDH1A1
SCHEMBL8128480 0.72 FNTA (0.42) FNTAFNTB
SCHEMBL7755616 0.72 FNTA (0.42) FNTAFNTBPGGT1BEP300
SCHEMBL7754941 0.72 TRPV4 (0.39) FNTAFNTBKDM4EALDH1A1PGGT1B
Hydrochloric Acid SCHEMBL7757576 0.70 FNTA (0.39) FNTAFNTBEP300

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-2001051127-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO disclosed