Sugi Predict

Sugi Predict / Compounds / SCHEMBL9302198

SCHEMBL9302198

SCHEMBL9302198

N#Cc1cc(-c2ccsc2)c2ccc(OCc3cccc(C4CC(O)CCO4)n3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 14/20 0.47
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM1A O60341 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL9302774 0.87 ALOX5 (0.62) ALOX5
SCHEMBL9300479 0.86 ALOX5 (0.49) ALOX5SCN9AALDH1A1
SCHEMBL9261473 0.83 MAOB (0.41) ALDH1A1
SCHEMBL9269554 0.79 ALOX5 (0.36) ALOX5
SCHEMBL9159731 0.79 ALOX5 (0.48) ALOX5
SCHEMBL9301169 0.76 ALOX5 (0.61) ALOX5
SCHEMBL9301503 0.76 ALOX5 (0.60) ALOX5
SCHEMBL9300351 0.74 ALOX5 (0.61) ALOX5
SCHEMBL9387451 0.74 ALOX5 (0.79) ALOX5
SCHEMBL9270438 0.74 MAOB (0.41) ALDH1A1

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