SCHEMBL22853008

SCHEMBL22853008

Cc1cc(F)ccc1Nc1nc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLCN2 P51788 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ FTO Q9C0B1 1/20 0.45
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ DHODH Q02127 2/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ AVPR2 P30518 1/20 0.39
▸ OXTR P30559 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SORT1 Q99523 1/20 0.38

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
SCHEMBL30294338 1.00 CLCN2 (0.47) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL22833443 0.90 KEAP1 (0.49) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL30294418 0.90 FTO (0.47) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL29383260 0.90 KEAP1 (0.49) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL22853004 0.90 FTO (0.47) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL22853360 0.88 MAPK13 (0.45) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL30294310 0.88 MAPK13 (0.45) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL22853078 0.85 CLCN2 (0.43) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL30294466 0.85 CLCN2 (0.43) CLCN2MKNK2MAPK13MAPK12MAPK11
SCHEMBL22853006 0.82 MKNK2 (0.48) CLCN2MKNK2MAPK13MAPK12MAPK11

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-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
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