SCHEMBL9119169

SCHEMBL9119169

CCCCCCC/C=C/c1cc(O)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
LTB4R Q15722 1/20 0.43
FAAH O00519 5/20 0.41
DAGLA Q9Y4D2 1/20 0.41
CES1 P23141 1/20 0.41
OXER1 Q8TDS5 1/20 0.40
EPHX2 P34913 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9119173 1.00 MAPT (0.44) MAPTKDM4EHSD17B10USP2ALDH1A1
SCHEMBL8987310 0.82 MAPT (0.56) MAPTKDM4EUSP2ALDH1A1LTB4R
SCHEMBL8987305 0.82 MAPT (0.56) MAPTKDM4EUSP2ALDH1A1LTB4R
SCHEMBL21065451 0.81 MAPT (0.47) MAPTKDM4EALDH1A1HPGDLTB4R
SCHEMBL21065452 0.81 MAPT (0.47) MAPTKDM4EALDH1A1HPGDLTB4R
SCHEMBL21065450 0.81 MAPT (0.47) MAPTKDM4EALDH1A1HPGDLTB4R
SCHEMBL9119172 0.81 FAAH (0.43) MAPTKDM4EHSD17B10USP2ALDH1A1
SCHEMBL30271653 0.77 MAPT (0.44) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL21128448 0.77 MAPT (0.44) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL9485825 0.76 FAAH (0.41) MAPTKDM4EHSD17B10USP2ALDH1A1

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
WO-1995028929-A1 AMINOLINE-N-OXIDE ANTIMICROBIALS FOR USE AGAINST H. PYLORI INFECTIONS RPMS TECHNOLOGY LIMITED (GB) 1995-11-02 WO disclosed
WO-1995028929-A1 AMINOLINE-N-OXIDE ANTIMICROBIALS FOR USE AGAINST H. PYLORI INFECTIONS RPMS TECHNOLOGY LIMITED (GB) 1995-11-02 WO disclosed
EP-0374765-B1 2,3-Disubstituted-4-hydroxyquinoline derivatives and process for preparing the same MEIJI SEIKA KAISHA (JP) 1994-06-22 EP disclosed