SCHEMBL15599239

SCHEMBL15599239

NC(=O)c1cc(Cl)c(COc2ccc(Cl)c(C(F)(F)F)c2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.67
PARP10 Q53GL7 3/20 0.46
PARP15 Q460N3 2/20 0.46
PARP14 Q460N5 1/20 0.46
MAOB P27338 1/20 0.44
SCN5A Q14524 1/20 0.44
HDAC3 O15379 1/20 0.41
BRAF P15056 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL15543288 0.89 SCN9A (0.68) SCN9ASCN5APPARGPPARA
SCHEMBL15599210 0.84 SCN9A (0.65) SCN9ASCN5A
SCHEMBL15544434 0.80 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16177695 0.80 SCN9A (0.80) SCN9ASCN5A
SCHEMBL365597 0.79 SCN9A (0.66) SCN9APARP10PARP15PARP14MAOB
SCHEMBL15018118 0.77 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16320136 0.77 SCN9A (0.61) SCN9AHDAC3BRAFHDAC4HDAC1
SCHEMBL15018102 0.76 SCN9A (0.81) SCN9ASCN5A
SCHEMBL16239864 0.76 SCN9A (0.79) SCN9ASCN5A
SCHEMBL15543985 0.75 SCN9A (0.65) SCN9AMAOBSCN5A

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-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed