SCHEMBL9756971

SCHEMBL9756971

COC(=O)Cc1nc2ccc(COc3ccccc3OCc3ccc4ccccc4n3)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
PPARG P37231 1/20 0.43

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
SCHEMBL9756970 0.93 ALOX5 (0.54) ALOX5CYSLTR1
SCHEMBL9635521 0.82 CYSLTR1 (0.44) ALOX5CYSLTR1
SCHEMBL9757069 0.81 ALOX5 (0.53) ALOX5CYSLTR1
SCHEMBL9431922 0.78 MEN1 (0.53) ALOX5CYSLTR1
SCHEMBL9430715 0.75 ALOX5 (0.50) ALOX5CYSLTR1
SCHEMBL9430587 0.75 ALOX5 (0.50) ALOX5CYSLTR1PPARG
SCHEMBL9431239 0.75 ALOX5 (0.50) ALOX5CYSLTR1
SCHEMBL9430730 0.75 ALOX5 (0.50) ALOX5CYSLTR1
SCHEMBL9430547 0.75 ALOX5 (0.50) ALOX5CYSLTR1
SCHEMBL9635515 0.75 CYSLTR1 (0.51) ALOX5CYSLTR1

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