SCHEMBL4064115

SCHEMBL4064115

Cc1cc(Cl)ccc1Oc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.52
GRM7 Q14831 1/20 0.52
GRM4 Q14833 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KCNQ3 O43525 3/20 0.47
KCNQ2 O43526 3/20 0.47
KCNE1 P15382 2/20 0.47
KCNQ1 P51787 2/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
P4HTM Q9NXG6 1/20 0.45
LMNA P02545 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45

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
SCHEMBL4060811 0.90 GRM8 (0.56) GRM8GRM7GRM4SMN1; SMN2KCNQ3
SCHEMBL4067290 0.89 GRM8 (0.53) GRM8GRM7GRM4SMN1; SMN2MEN1
SCHEMBL4069994 0.87 NPC1 (0.54) SMN1; SMN2MEN1RAB9AKMT2ANPC1
SCHEMBL4065169 0.86 RAB9A (0.57) GRM8GRM7GRM4SMN1; SMN2MEN1
SCHEMBL4058614 0.85 GRM8 (0.53) GRM8GRM7GRM4LMNAHTR2C
SCHEMBL4063387 0.85 NPC1 (0.53) GRM8GRM7GRM4SMN1; SMN2KCNQ3
SCHEMBL27683455 0.84 KCNQ3 (0.52) GRM8GRM7GRM4SMN1; SMN2KCNQ3
SCHEMBL4061697 0.84 GRM8 (0.55) GRM8GRM7GRM4LMNAHTR2C
SCHEMBL4062244 0.84 PNLIP (0.60) GRM8GRM7GRM4MEN1RAB9A
SCHEMBL4065181 0.84 GRM4 (0.57) GRM8GRM7GRM4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed