SCHEMBL9154676

SCHEMBL9154676

COC1CCOC(c2cccc(COc3ccc4c(-c5ccsc5)ccnc4c3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.38
TLR8 Q9NR97 2/20 0.38
ALOX5 P09917 2/20 0.35
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
KCNH2 Q12809 1/20 0.31
PARP14 Q460N5 1/20 0.30
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL9161176 0.90 GRM4 (0.39) GRM4TLR8ALOX5
SCHEMBL9161437 0.87 GRM4 (0.39) GRM4TLR8ALOX5
SCHEMBL9258559 0.83 MAOB (0.48)
SCHEMBL9157666 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9154667 0.77 ALOX5 (0.39) ALOX5PARP14
SCHEMBL9159680 0.77 ALOX5 (0.39) ALOX5PARP14
SCHEMBL9159702 0.77 GRM4 (0.40) GRM4TLR8ALOX5
SCHEMBL9160050 0.76 ALOX5 (0.41) ALOX5PARP14
SCHEMBL9263552 0.76 MAOB (0.47)
SCHEMBL9268130 0.75 MAOB (0.46)

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
US-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
WO-1995003300-A1 HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1995-02-02 WO disclosed