SCHEMBL21322016

SCHEMBL21322016

C=CNCc1cccc(-c2ncc(OCC3CCNCC3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.47
▸ KDM1A O60341 12/20 0.42
▸ MAOB P27338 2/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MET P08581 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL21322203 0.86 MET (0.53) METNQO2AKT1
SCHEMBL22310321 0.82 EP300 (0.53) EP300KDM1AMAOBSLC6A2SLC6A4
SCHEMBL31495099 0.78 KDM1A (0.62) EP300KDM1AMAOBSLC6A2SLC6A4
SCHEMBL30905863 0.73 MET (0.55) EP300KDM1AMAOBMETNQO2
SCHEMBL19267087 0.73 LDHA (0.44) EP300KDM1AMAOBMETNQO2
SCHEMBL19266925 0.72 EP300 (0.37) EP300KDM1AMAOBSLC6A2SLC6A4
SCHEMBL19266912 0.72 EP300 (0.37) EP300KDM1AMAOBSLC6A2SLC6A4
SCHEMBL21322013 0.72 MET (0.49) EP300KDM1AMAOBSLC6A2SLC6A4
SCHEMBL31690422 0.71 MET (0.45) EP300KDM1AMAOBSLC6A2SLC6A4
SCHEMBL19266882 0.71 MET (0.43) EP300KDM1AMAOBSLC6A2SLC6A4

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
EP-3533787-A1 PYRIDONE COMPOUND AS C-MET INHIBITOR Fujian Cosunter Pharmaceutical Co., Ltd. (CN) 2019-09-04 — — EP disclosed
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