SCHEMBL8980880

SCHEMBL8980880

O=C(NCCO)c1cc(Br)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HSP90AA1 P07900 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
MAPT P10636 4/20 0.58
CASP1 P29466 2/20 0.58
CASP7 P55210 1/20 0.58
CDK1 P06493 1/20 0.55
HPGD P15428 4/20 0.55
ALOX15 P16050 2/20 0.55
CYP1A2 P05177 2/20 0.55
CES2 O00748 1/20 0.55
GALR3 O60755 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 4/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50

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 SCHEMBL1179368 0.83 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
Gentisic Acid Ethanolamide SCHEMBL29379843 0.83 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL7504110 0.82 ALDH1A1 (1.00) KDM4EALDH1A1HSP90AA1RXFP1MAPT
SCHEMBL7956262 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HSP90AA1RXFP1MAPT
SCHEMBL13753904 0.81 KDM4E (0.62) KDM4EALDH1A1HSP90AA1RXFP1MAPT
SCHEMBL15887753 0.80 NAAA (0.74) KDM4EALDH1A1HSP90AA1RXFP1MAPT
SCHEMBL330504 0.80 HSP90AA1 (0.63) KDM4EALDH1A1HSP90AA1RXFP1MAPT
SCHEMBL8980561 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980687 0.80 CDK1 (0.82) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980647 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7

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