SCHEMBL8656390

SCHEMBL8656390

N#Cc1ccc(O)c(C(=O)NCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CDK1 P06493 1/20 0.51
TMPRSS4 Q9NRS4 3/20 0.51
P2RX1 P51575 1/20 0.45
NAAA Q02083 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA13 Q8N1Q1 2/20 0.40

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
SCHEMBL8643326 0.88 ALDH1A1 (0.54) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL6742103 0.87 TMPRSS4 (0.50) KDM4EALDH1A1MAPTCASP1CASP7
Gentisic Acid Ethanolamide SCHEMBL29379843 0.79 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
Gentisic Acid Ethanolamide SCHEMBL1179368 0.79 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL21884529 0.79 CDK1 (0.49) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980647 0.76 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980687 0.76 CDK1 (0.82) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980880 0.76 KDM4E (0.69) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980561 0.76 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL6617465 0.76 NPC1 (0.52) KDM4EALDH1A1MAPTTMPRSS4P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566018-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1998-08-05 EP disclosed
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed
EP-0566018-A2 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1993-10-20 EP disclosed