SCHEMBL9384667

SCHEMBL9384667

COc1ccc(-c2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
MAPT P10636 4/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
KDR P35968 2/20 0.59
CHEK1 O14757 1/20 0.59
ALDH1A1 P00352 7/20 0.56
GAA P10253 1/20 0.56
HIF1A Q16665 1/20 0.56
PADI4 Q9UM07 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL18762059 0.86 KDM4E (0.55) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL7196311 0.84 ALDH1A1 (0.70) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL8987358 0.84 ALDH1A1 (0.59) KDM4EMAPTNPC1RAB9AKDR
SCHEMBL29206326 0.83 BRD4 (0.64) KDM4EMAPTNPC1RAB9AKDR
SCHEMBL2008746 0.82 KDR (0.68) KDM4ENPC1RAB9AKDRCHEK1
SCHEMBL29712353 0.82 KDR (0.68) KDM4ENPC1RAB9AKDRCHEK1
SCHEMBL5465099 0.81 CDK5 (0.76) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL8925407 0.81 CA1 (0.53) PDGFRBFLT3
SCHEMBL11347026 0.80 CDK5 (0.65) KDM4EMAPTNPC1RAB9AKDR
SCHEMBL30740090 0.80 KDM4E (0.60) KDM4EMAPTNPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620812-A1 QUINOLONE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-10-26 EP disclosed
WO-1993011115-A2 QUINOLONE DERIVATIVES AND THEIR USE AS NMDA AND AMPA RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-06-10 WO disclosed
US-4395414-A Substituted quinolinone-alkanecarboxylic acids and medicaments containing them, having a hyperglycaemic action BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-07-26 US disclosed
EP-0024638-A1 Substituted quinolinone-alkanecarboxylic acids, their preparation, and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-11 EP disclosed
WO-1981000564-A1 SUBSTITUTED QUINOLINONE-ALKANECARBOXYLIC ACIDS,THEIR PREPARATION AND USE,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-03-05 WO disclosed