SCHEMBL13375334

SCHEMBL13375334

O=[N+]([O-])c1cn(C2CCCCO2)nc1-c1nc2cc(F)c(CCO)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL13375330 0.90 ABL1 (0.34) ABL1
SCHEMBL13375054 0.85 ABL1 (0.33) ABL1CYP4F2CYP4A11
SCHEMBL13373566 0.84 SYK (0.35) ABL1
SCHEMBL13375210 0.82 ABL1 (0.35) ABL1
SCHEMBL3928294 0.82 EGFR (0.37) ABL1
SCHEMBL5952646 0.82 ABL1 (0.33) ABL1
SCHEMBL13375327 0.82 ABL1 (0.37) ABL1
SCHEMBL3926150 0.82 MAPT (0.41) ABL1
SCHEMBL3929262 0.81 MAPT (0.36) ABL1
SCHEMBL13375196 0.81 ABL1 (0.37) ABL1

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed