SCHEMBL8980565

SCHEMBL8980565

COc1cc(O)c(C(=O)NCCO)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HTT P42858 1/20 0.54
HMGCR P04035 2/20 0.54
ADORA2A P29274 2/20 0.51
APP P05067 6/20 0.50
ACHE P22303 2/20 0.48
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.44
SMPD1 P17405 1/20 0.44
CDK1 P06493 1/20 0.43

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
SCHEMBL28806792 0.87 HTT (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL1589648 0.83 ADORA2A (0.47) KDM4EALDH1A1ADORA2ANPC1CYP3A4
SCHEMBL8981619 0.78 KDM4E (0.57) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980690 0.78 RAB9A (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980567 0.78 ALDH1A1 (0.61) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4579120 0.77 KDM4E (0.68) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL11946685 0.76 TAS1R3 (0.57) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL13913242 0.76 APP (0.53) KDM4EALDH1A1ADORA2AAPPACHE
SCHEMBL9902404 0.75 KMT2A (0.63) NPC1MEN1KMT2ARXFP1LMNA
SCHEMBL9668883 0.75 SMPD1 (0.61) KDM4EALDH1A1HTTNPC1MEN1

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
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed