SCHEMBL8206537

SCHEMBL8206537

CSCC[C@H](NC(=O)c1cccc(/C=C(\Cn2ccnc2)c2ccc(F)cc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.46
FNTB P49356 12/20 0.46
AGTR2 P50052 1/20 0.45
PGGT1B P53609 3/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7706112 1.00 FNTA (0.46) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL7703271 1.00 FNTA (0.46) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL7703276 1.00 FNTA (0.46) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL7706109 1.00 FNTA (0.46) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL7703300 0.93 AGTR2 (0.45) FNTAFNTBAGTR2PGGT1BCYP3A4
SCHEMBL7709015 0.93 RAB9A (0.40) FNTAFNTBAGTR2RAB9ACYP3A4
SCHEMBL7703291 0.93 AGTR2 (0.45) FNTAFNTBAGTR2PGGT1BCYP3A4
SCHEMBL7709010 0.93 RAB9A (0.40) FNTAFNTBAGTR2RAB9ACYP3A4
SCHEMBL7703353 0.92 FNTA (0.48) FNTAFNTBAGTR2PGGT1BUSP2
SCHEMBL7703349 0.92 FNTA (0.48) FNTAFNTBAGTR2PGGT1BUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP claimed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO claimed