SCHEMBL21322331

SCHEMBL21322331

C[C@H](c1cccc(-c2ncc(OCC3CCNCC3)cn2)c1)n1cc(Br)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.50
▸ NQO2 P16083 1/20 0.41
▸ EP300 Q09472 4/20 0.41
▸ KDM1A O60341 7/20 0.39
▸ MAOB P27338 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ KHK P50053 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ PFKFB3 Q16875 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL21322332 0.84 MET (0.46) METNQO2EP300KDM1AMAOB
SCHEMBL21322327 0.84 MET (0.47) METNQO2EP300KDM1AMAOB
SCHEMBL21264623 0.84 MET (0.47) METNQO2EP300KDM1AMAOB
SCHEMBL21264840 0.84 MET (0.46) METNQO2EP300KDM1AMAOB
SCHEMBL21322325 0.83 MET (0.47) METNQO2GPR119
SCHEMBL21264839 0.83 MET (0.68) METNQO2KDM1AMAOBSLC6A2
SCHEMBL21322013 0.80 MET (0.49) METNQO2EP300KDM1AMAOB
SCHEMBL24081422 0.76 MET (0.43) METNQO2EP300KDM1AMAOB
SCHEMBL25071720 0.76 MET (0.51) METNQO2KDM1AMAOBSLC6A2
SCHEMBL22310387 0.76 MET (0.51) METNQO2KDM1AMAOBSLC6A2

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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