SCHEMBL9757059

SCHEMBL9757059

Oc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.72
CYSLTR2 Q9NS75 8/20 0.72
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.58
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCC1 P33527 3/20 0.48
ABCC2 Q92887 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCC5 O15440 1/20 0.48
SLCO2B1 O94956 1/20 0.48
ABCB11 O95342 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48

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
SCHEMBL9757052 1.00 CYSLTR1 (0.72) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL13513030 0.90 CYSLTR1 (0.59) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL8303664 0.84 CYSLTR1 (0.55) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL8303662 0.84 CYSLTR1 (0.55) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL6090473 0.84 CYSLTR2 (1.00) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL6090471 0.84 CYSLTR2 (1.00) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL10421429 0.84 KDM4E (0.65) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL10421430 0.84 KDM4E (0.65) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL6750524 0.83 KDM4E (0.67) CYSLTR1CYSLTR2MEN1KMT2ANPC1
SCHEMBL10402117 0.83 CYSLTR2 (0.72) CYSLTR1CYSLTR2MEN1KMT2ANPC1

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 4 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
US-4962203-A ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROST CANADA, INC. (CA) 1990-10-09 US disclosed
EP-0206751-A2 2-Substituted quinolines, their preparation and use MERCK FROSST CANADA INC. (CA) 1986-12-30 EP disclosed