SCHEMBL8980561

SCHEMBL8980561

O=C(NCCO)c1cc(F)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CDK1 P06493 1/20 0.55
P2RX1 P51575 2/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
ALPL P05186 1/20 0.47
NAAA Q02083 1/20 0.47
SYK P43405 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
PPIA P62937 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 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
Gentisic Acid Ethanolamide SCHEMBL29379843 0.83 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
Gentisic Acid Ethanolamide SCHEMBL1179368 0.83 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL5636971 0.81 ALPL (0.55) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL13545501 0.80 MAPK1 (0.53) KDM4EALDH1A1CDK1NAAA
SCHEMBL8980687 0.80 CDK1 (0.82) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980647 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980880 0.80 KDM4E (0.69) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL2158927 0.79 MAPK1 (0.55) KDM4EALDH1A1CDK1NAAA
SCHEMBL1639721 0.79 P2RX1 (0.54) KDM4EALDH1A1MAPTP2RX1TMPRSS4
SCHEMBL13523836 0.78 NAAA (0.56) KDM4EALDH1A1CDK1NAAASYK

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