SCHEMBL7444775

SCHEMBL7444775

Cn1cc(-c2cccc(F)c2)nc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.63
HPGDS O60760 1/20 0.50
F2RL3 Q96RI0 1/20 0.47
TLR8 Q9NR97 1/20 0.47
KMO O15229 2/20 0.44
FYN P06241 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
PDE10A Q9Y233 2/20 0.42
PARP1 P09874 1/20 0.41
JAK2 O60674 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 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
SCHEMBL7430092 0.84 SCN9A (0.61) SCN9ATLR8KMOKDM4EMEN1
SCHEMBL12907953 0.82 SCN9A (0.61) SCN9ATLR8KDM4EMEN1MAPT
SCHEMBL7433050 0.79 SCN9A (0.43) SCN9AHPGDSF2RL3TLR8KMO
SCHEMBL7440302 0.77 SCN9A (0.53) SCN9ATLR8KDM4EMEN1MAPT
SCHEMBL7433045 0.76 SCN9A (0.40) SCN9AHPGDSF2RL3TLR8KMO
SCHEMBL3670564 0.75 SCN9A (0.51) SCN9AF2RL3TLR8KDM4EMEN1
SCHEMBL1385874 0.74 SCN4A (0.58) SCN9A
SCHEMBL20017684 0.74 PDE10A (0.54) F2RL3TLR8KDM4EMEN1MAPT
SCHEMBL259657 0.71 PDE10A (0.54) F2RL3TLR8KDM4EMEN1MAPT
SCHEMBL7431062 0.71 KMO (0.52) SCN9ATLR8KMOKDM4EMAPK1

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