SCHEMBL7754946

SCHEMBL7754946

COc1cccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(C#N)c(F)c2)c2cncn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
FNTA P49354 9/20 0.39
FNTB P49356 9/20 0.39
TRPV4 Q9HBA0 2/20 0.38
PGGT1B P53609 2/20 0.38
MEP1B Q16820 1/20 0.38
ALPL P05186 1/20 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
SCHEMBL7754130 0.85 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7754941 0.84 TRPV4 (0.39) L3MBTL1ATMFNTAFNTBTRPV4
Hydrochloric Acid SCHEMBL7757577 0.80 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL7220418 0.79 ALDH1A1 (0.40) L3MBTL1ATMFNTAFNTBTRPV4
SCHEMBL7755616 0.77 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL7220168 0.74 FNTA (0.37) L3MBTL1ATMFNTAFNTBTRPV4
SCHEMBL7754126 0.69 PTPRB (0.38) FNTAFNTBPGGT1B
SCHEMBL7755338 0.69 PTPRB (0.41) FNTAFNTBPGGT1B
SCHEMBL7681015 0.69 L3MBTL1 (0.39) L3MBTL1TRPV4MEP1B
SCHEMBL7757384 0.67 FNTA (0.48) FNTAFNTBPGGT1B

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-2001051126-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO disclosed