SCHEMBL9826574

SCHEMBL9826574

Oc1cc2cnccc2c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
DAO P14920 2/20 0.44
ERN1 O75460 1/20 0.44
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CACNA1B Q00975 2/20 0.41
KDM5A P29375 1/20 0.41
CLK1 P49759 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKCH P24723 4/20 0.37
PRKCE Q02156 4/20 0.37

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
SCHEMBL9827753 0.83 DAO (0.44) KDM4EMAPKAPK2DAOERN1EP300
SCHEMBL17193036 0.82 KDM4E (0.47) KDM4EMAPKAPK2DAOERN1EP300
SCHEMBL17193008 0.82 IMPDH2 (0.49) KDM4EMAPKAPK2DAOERN1EP300
Bromide SCHEMBL20854740 0.81 IMPDH2 (0.47) KDM4EMAPKAPK2DAOERN1EP300
SCHEMBL17193035 0.80 ADORA3 (0.47) KDM4EMAPKAPK2ERN1CACNA1BCLK1
SCHEMBL9826831 0.78 MAOA (0.45) KDM4EMAPKAPK2DAOERN1KDM5A
SCHEMBL9827957 0.77 ERN1 (0.59) KDM4EMAPKAPK2DAOERN1EP300
SCHEMBL15700805 0.76 HASPIN (0.42) KDM4EMAPKAPK2ERN1CACNA1BCLK1
SCHEMBL9827614 0.76 MAOA (0.53) KDM4EMAPKAPK2ERN1CLK1CDK5
SCHEMBL1651489 0.73 DAO (0.50) KDM4EMAPKAPK2DAOERN1CLK1

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
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed