SCHEMBL3725622

SCHEMBL3725622

NC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.55
KMT2A Q03164 1/20 0.51
FPR2 P25090 3/20 0.47
TRPV3 Q8NET8 7/20 0.46
PARP1 P09874 1/20 0.46
IKBKB O14920 1/20 0.46
MAP4K4 O95819 1/20 0.44

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
SCHEMBL893266 0.86 TRPV3 (0.47) SCN9ATRPV3MAP4K4
SCHEMBL13728192 0.83 KMO (0.52) SCN9APARP1
SCHEMBL13726855 0.82 L3MBTL1 (0.51) SCN9AMAP4K4
SCHEMBL29520004 0.81 SCN9A (0.53) SCN9AFPR2
SCHEMBL13729587 0.80 KMT2A (0.53) SCN9AKMT2APARP1IKBKBMAP4K4
SCHEMBL29594739 0.79 SCN9A (0.44) SCN9AFPR2MAP4K4
SCHEMBL2543831 0.79 HDAC6 (0.50) SCN9AKMT2APARP1MAP4K4
SCHEMBL29383595 0.79 HDAC6 (0.50) SCN9AKMT2APARP1MAP4K4
SCHEMBL3725418 0.79 SCN9A (0.57) SCN9AKMT2AFPR2PARP1
SCHEMBL3719609 0.78 KMT2A (0.54) SCN9AKMT2AIKBKB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed