SCHEMBL9301072

SCHEMBL9301072

CCC(=S)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.71
ALOX5 P09917 11/20 0.51
MAOB P27338 1/20 0.47
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 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
SCHEMBL9300510 0.83 P2RY14 (1.00) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9300644 0.81 P2RY14 (0.78) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9301912 0.81 KDM4E (0.46) P2RY14ALOX5MAOB
SCHEMBL9301439 0.79 P2RY14 (0.78) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9301058 0.79 P2RY14 (0.73) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL2931677 0.72 P2RY14 (0.60) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9301064 0.70 ALOX5 (0.51) P2RY14ALOX5MAOB
SCHEMBL13057641 0.68 MEN1 (0.57) P2RY14MAOBLTB4RLTB4R2
SCHEMBL6087461 0.68 ALOX5 (0.56) P2RY14ALOX5MAOB
SCHEMBL9301951 0.68 P2RY14 (0.55) P2RY14ALOX5MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed