SCHEMBL9756948

SCHEMBL9756948

CC(=O)Oc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.69
CYSLTR2 Q9NS75 12/20 0.69
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 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
SCHEMBL9756949 1.00 CYSLTR1 (0.69) CYSLTR1CYSLTR2MEN1KMT2ARAB9A
SCHEMBL10402601 0.87 CYSLTR2 (0.67) CYSLTR1CYSLTR2MEN1KMT2ARAB9A
SCHEMBL10402603 0.87 CYSLTR2 (0.67) CYSLTR1CYSLTR2MEN1KMT2ARAB9A
SCHEMBL10405745 0.86 CYSLTR2 (0.52) CYSLTR1CYSLTR2MEN1KMT2ARAB9A
SCHEMBL10405746 0.86 CYSLTR2 (0.52) CYSLTR1CYSLTR2MEN1KMT2ARAB9A
SCHEMBL10402152 0.84 CYSLTR1 (0.65) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL10402153 0.84 CYSLTR1 (0.65) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL10401682 0.83 CYSLTR1 (0.81) CYSLTR1CYSLTR2MEN1KMT2AABCC1
SCHEMBL10401689 0.83 CYSLTR1 (0.81) CYSLTR1CYSLTR2MEN1KMT2AABCC1
SCHEMBL10402879 0.82 CYSLTR1 (0.79) CYSLTR1CYSLTR2MEN1KMT2AABCC1

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
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed