SCHEMBL17488336

SCHEMBL17488336

Fc1cc(NC2COC2)cc2[nH]c(NCc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.42
SCN7A Q01118 2/20 0.39
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 2/20 0.39
BRD4 O60885 1/20 0.38
THRB P10828 1/20 0.36
LIPE Q05469 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL17488334 0.91 FABP4 (0.34) SCN9A
SCHEMBL17488339 0.89 GRM4 (0.36)
SCHEMBL17488103 0.87 SCN9A (0.47) SCN9ASCN7AKCNH2SCN5ABRD4
SCHEMBL18965997 0.82 SCN9A (0.42) SCN9ASCN7AKCNH2SCN5ALIPE
SCHEMBL17488159 0.78 RAB9A (0.41) SCN9AKDRTEKLMNA
SCHEMBL17488240 0.75 RAB9A (0.41) SCN9AKDRTEKLMNA
SCHEMBL17488105 0.75 RAB9A (0.41) KCNH2LMNA
SCHEMBL17488253 0.74 SCN9A (0.46) SCN9ASCN7AKCNH2SCN5A
SCHEMBL17488013 0.73 RAB9A (0.39) KCNH2KDRLMNA
SCHEMBL17487676 0.73 CYP3A4 (0.36) LMNA

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed