SCHEMBL9757716

SCHEMBL9757716

Cc1c(C(=O)O)sc2ccc(OCc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.48
EDNRA P25101 1/20 0.46
CYSLTR1 Q9Y271 3/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
PDE10A Q9Y233 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC26A4 O43511 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9757054 0.89 PDE10A (0.58) ALOX5APEDNRACYSLTR1CYSLTR2PDE10A
SCHEMBL9757150 0.86 CYSLTR1 (0.43) ALOX5APEDNRACYSLTR1CYSLTR2SLC26A4
SCHEMBL9757147 0.85 EDNRA (0.42) ALOX5APEDNRASLC26A4KMT2ACYP3A4
SCHEMBL9757076 0.82 ALOX5 (0.59) EDNRACYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL9757101 0.81 CYSLTR1 (0.46) ALOX5APCYSLTR1CYSLTR2PDE10A
SCHEMBL9757119 0.81 PDE10A (0.54) ALOX5APCYSLTR1CYSLTR2PDE10AALOX5
SCHEMBL9757233 0.80 CYSLTR1 (0.55) ALOX5APCYSLTR1PDE10AALOX5
SCHEMBL9757078 0.79 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL9757151 0.78 NR4A2 (0.43) EDNRACYSLTR1CYSLTR2
SCHEMBL9757226 0.75 EDNRA (0.48) EDNRACYSLTR1CYSLTR2PDE10AKMT2A

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