SCHEMBL17488338

SCHEMBL17488338

CCC(Nc1nc2ccc(NC3COC3)cc2[nH]1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.44
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
SCN7A Q01118 2/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 2/20 0.40
BRD4 O60885 1/20 0.40
SCN10A Q9Y5Y9 2/20 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
SCHEMBL17488335 0.90 SCN9A (0.44) SCN9AKDRTEKSCN7AKCNH2
SCHEMBL17488103 0.84 SCN9A (0.47) SCN9AKDRTEKSCN7AKCNH2
SCHEMBL18965935 0.84 SCN9A (0.44) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL17488274 0.82 RAF1 (0.34) KDRTEK
SCHEMBL17488003 0.78 SCN9A (0.37) SCN9AKDRTEKKCNH2
SCHEMBL17488255 0.74 MCHR1 (0.42) SCN9AKDRTEKSCN7AKCNH2
SCHEMBL18965891 0.74 SCN9A (0.44) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL17488159 0.73 RAB9A (0.41) SCN9AKDRTEK
SCHEMBL17488336 0.72 SCN9A (0.42) SCN9AKDRTEKSCN7AKCNH2
SCHEMBL17488301 0.72 CYP3A4 (0.39) SCN9A

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