SCHEMBL22853046

SCHEMBL22853046

COC(=O)c1cc(Cl)c(C)nc1Nc1ccc(F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MAPK3 P27361 3/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ HPGD P15428 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FTO Q9C0B1 1/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL30294532 1.00 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL30294310 0.91 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL22853360 0.91 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL22853004 0.88 FTO (0.47) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL30294418 0.88 FTO (0.47) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL22853049 0.88 NPC1 (0.43) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL30294590 0.88 NPC1 (0.43) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL22853043 0.85 MAPK3 (0.41) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL30294640 0.85 MAPK3 (0.41) MAPK13MAPK12MAPK11MAPK14MAPK3
SCHEMBL22853157 0.82 HPGD (0.42) MAPK13MAPK12MAPK11MAPK14MAPK3

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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