SCHEMBL7440302

SCHEMBL7440302

Cc1ccc(-c2cn(C)c(C(N)=O)n2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.53
ALDH1A1 P00352 2/20 0.46
BRD4 O60885 2/20 0.43
BRD9 Q9H8M2 1/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALPL P05186 1/20 0.41
CA9 Q16790 1/20 0.41
MAP3K14 Q99558 1/20 0.39
LMNA P02545 2/20 0.38
TLR8 Q9NR97 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
POLB P06746 1/20 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
SCHEMBL3670564 0.83 SCN9A (0.51) SCN9AALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7430092 0.81 SCN9A (0.61) SCN9AALDH1A1MAPTTLR8NPC1
SCHEMBL12907953 0.78 SCN9A (0.61) SCN9AALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL29504931 0.78 SCN9A (0.49) SCN9ABRD4MAPTCA9NPC1
SCHEMBL7432591 0.78 ALDH1A1 (0.37) SCN9AALDH1A1BRD4BRD9MAPT
SCHEMBL7444775 0.77 SCN9A (0.63) SCN9AMAPTTLR8KDM4EMEN1
SCHEMBL30098806 0.77 CASP3 (0.50) SCN9AALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7432583 0.75 ALDH1A1 (0.34) SCN9AALDH1A1BRD4MAPTSMN1; SMN2
SCHEMBL5306596 0.74 MAPT (0.42) ALDH1A1BRD4BRD9MAPTSMN1; SMN2
SCHEMBL30098723 0.73 SCN9A (0.56) SCN9AALDH1A1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed