SCHEMBL8586325

SCHEMBL8586325

COc1cc(C(N)=O)c(OC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IKBKB O14920 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PLK1 P53350 1/20 0.44
HPGDS O60760 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 3/20 0.42
MAPK10 P53779 2/20 0.42
CDC25B P30305 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL28286023 0.87 KDM4E (0.45) KDM4EALDH1A1MAPK1SMN1; SMN2PARP15
SCHEMBL406268 0.85 HTT (0.49) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1
SCHEMBL976330 0.85 KDM4E (0.57) KDM4EALDH1A1MAPK1SMN1; SMN2ALOX15
SCHEMBL10892729 0.83 KDM4E (0.45) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1
SCHEMBL3741758 0.83 KDM4E (0.60) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1
SCHEMBL27789847 0.83 SLC9A1 (0.47) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1
SCHEMBL3110545 0.81 PLK1 (0.43) KDM4EALDH1A1SMN1; SMN2PLK1MEN1
SCHEMBL5963042 0.81 HMGCR (0.53) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1
Hydrochloric Acid SCHEMBL5963255 0.80 KDM4E (0.40) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1
SCHEMBL23535584 0.80 HPGDS (0.66) KDM4EALDH1A1MAPK1SMN1; SMN2PLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590063-A DIMETHOXY NAPHTHALENE CARBOXAMIDES ADRIA LABORATORIES, INC. (US) 1986-05-20 US claimed
EP-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP disclosed
US-4590063-A DIMETHOXY NAPHTHALENE CARBOXAMIDES ADRIA LABORATORIES, INC. (US) 1986-05-20 US disclosed
US-4540814-A 1,4-Dimethoxy naphthalenecarboxamide anticonvulsants ADRIA LABORATORIES, INC. (US) 1985-09-10 US disclosed