SCHEMBL2418091

SCHEMBL2418091

COc1ccc(Cl)c(-c2ncc(NC(=O)c3ccon3)nc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 5/20 0.53
▸ SCN9A Q15858 3/20 0.49
▸ SCN1A P35498 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ TP53 P04637 2/20 0.36

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
SCHEMBL2415714 0.87 SCN10A (0.53) SCN10AMAPTALDH1A1TDP1TSHR
SCHEMBL14237415 0.85 SCN10A (0.71) SCN10ASCN9ASCN1ASCN5AMAPT
SCHEMBL2418806 0.84 SCN10A (0.53) SCN10ASCN9ASCN1ASCN5AALDH1A1
SCHEMBL2416261 0.84 SCN10A (0.75) SCN10ASCN9ASCN1ASCN5AMAPT
SCHEMBL2410050 0.84 SCN10A (0.52) SCN10ASCN9ASCN1ASCN5AMAPT
SCHEMBL2415948 0.83 SCN10A (0.54) SCN10ASCN9ASCN1ASCN5AMAPT
SCHEMBL2410195 0.83 SCN10A (0.48) SCN10AALDH1A1HPGDRAB9ANPC1
SCHEMBL2419090 0.82 SCN10A (0.51) SCN10ASCN9ASCN1ASCN5AMAPT
SCHEMBL2420059 0.81 SCN10A (0.54) SCN10ASCN9ASCN1ASCN5AMAPT
SCHEMBL2410516 0.81 SCN10A (0.75) SCN10ASCN9ASCN1ASCN5AKDM4E

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
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 — — EP disclosed
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