SCHEMBL9757150

SCHEMBL9757150

Cc1c(C(=O)O)sc2ccc(OCc3ccc(C=Cc4ccc5ccc(Cl)cc5n4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.43
CYSLTR2 Q9NS75 5/20 0.43
EDNRA P25101 1/20 0.43
SLC26A4 O43511 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
TBXAS1 P24557 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL9757227 0.90 EDNRA (0.48) CYSLTR1CYSLTR2EDNRAKMT2AKDM4E
SCHEMBL9757226 0.90 EDNRA (0.48) CYSLTR1CYSLTR2EDNRAKMT2AKDM4E
SCHEMBL9757078 0.89 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL9757716 0.86 ALOX5AP (0.48) CYSLTR1CYSLTR2EDNRASLC26A4KMT2A
SCHEMBL9757147 0.82 EDNRA (0.42) EDNRASLC26A4KMT2ANPC1RAB9A
SCHEMBL9757080 0.81 CYSLTR1 (0.35) CYSLTR1CYSLTR2KMT2AKDM4ENPC1
SCHEMBL9757209 0.80 CYSLTR1 (0.43) CYSLTR1CYSLTR2TBXAS1
SCHEMBL9757151 0.76 NR4A2 (0.43) CYSLTR1CYSLTR2EDNRATBXAS1
SCHEMBL9757054 0.75 PDE10A (0.58) CYSLTR1CYSLTR2EDNRAALOX5AP
SCHEMBL9757224 0.72 EDNRA (0.48) CYSLTR1EDNRANPC1TBXAS1

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 1 patent. 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