SCHEMBL7284285

SCHEMBL7284285

CNCc1ccc([C]=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.65
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
NCF1 P14598 2/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ADRB2 P07550 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2A6 P11509 1/20 0.37
MMP8 P22894 1/20 0.37
PARP1 P09874 3/20 0.36
EPHX2 P34913 1/20 0.36
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
PARP2 Q9UGN5 2/20 0.33
HTR7 P34969 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL2504209 0.80 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL509578 0.79 LOXL2 (1.00) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL3892437 0.77 LOXL2 (0.65) LOXL2KDM4ECYP3A4MAPTNCF1
Hydrochloric Acid SCHEMBL8135282 0.77 LOXL2 (0.95) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL25210176 0.77 LOXL2 (0.54) LOXL2KDM4ECYP3A4MAPTNCF1
Hydrochloric Acid SCHEMBL30925271 0.77 KDM4E (0.74) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL8698182 0.75 KDM4E (0.47) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL3497836 0.75 KMT2A (0.59) KDM4EMAPT
SCHEMBL2323596 0.74 BCHE (0.53) MAPTCA2
SCHEMBL750418 0.74 LOXL2 (0.88) LOXL2KDM4ECYP3A4MAPTADRB2

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
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed