SCHEMBL2410050

SCHEMBL2410050

COc1ccc(Cl)c(-c2ncc(NC(=O)c3cnoc3)nc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.52
▸ SCN1A P35498 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ TP53 P04637 4/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ MAPT P10636 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
SCHEMBL2416391 0.87 SCN10A (0.52) SCN10ARXFP1RAB9AMEN1KMT2A
SCHEMBL2418091 0.84 SCN10A (0.53) SCN10ASCN1ASCN5ASCN9AHSP90AA1
SCHEMBL2416261 0.83 SCN10A (0.75) SCN10ASCN1ASCN5ASCN9AHSP90AA1
SCHEMBL2419401 0.83 SCN10A (0.47) SCN10AABL1SMN1; SMN2DEGS1
SCHEMBL2419090 0.83 SCN10A (0.51) SCN10ASCN1ASCN5ASCN9AHSP90AA1
SCHEMBL2420059 0.82 SCN10A (0.54) SCN10ASCN1ASCN5ASCN9AKIT
SCHEMBL2416612 0.81 SCN10A (0.55) SCN10ASCN9ATP53RXFP1RAB9A
SCHEMBL2415208 0.81 SCN10A (0.50) SCN10ASCN1ASCN5ASCN9AHSP90AA1
SCHEMBL2415948 0.80 SCN10A (0.54) SCN10ASCN1ASCN5ASCN9AHSP90AA1
SCHEMBL2410516 0.80 SCN10A (0.75) SCN10ASCN1ASCN5ASCN9ARAB9A

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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