SCHEMBL8104529

SCHEMBL8104529

O=C(N[C@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.59
ACE P12821 2/20 0.56
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 1/20 0.53
PTPN1 P18031 3/20 0.52
GPR132 Q9UNW8 1/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALOX5 P09917 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL7510215 1.00 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL8588574 0.90 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL6850655 0.90 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL6938746 0.90 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL7971423 0.90 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL7442005 0.85 CA2 (0.74) CA2ACENPC1TP53RAB9A
SCHEMBL7442014 0.85 CA2 (0.74) CA2ACENPC1TP53RAB9A
SCHEMBL4366751 0.83 CA2 (0.67) CA2ACENPC1TP53RAB9A
SCHEMBL27659000 0.83 CA2 (0.67) CA2ACENPC1TP53RAB9A
SCHEMBL453542 0.82 CA2 (0.60) CA2ACECA1PTPN1ITGB3

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-1042329-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL, COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES Aventis Pharma S.A. (FR) 2000-10-11 EP disclosed
WO-1999033834-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES AVENTIS PHARMA S.A. (FR) 1999-07-08 WO disclosed