SCHEMBL7813258

SCHEMBL7813258

N#Cc1cc(-c2ccoc2)c2ccc(S)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.45
XDH P47989 3/20 0.34
SLC22A12 Q96S37 3/20 0.34
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
LRRK2 Q5S007 2/20 0.32
CHEK1 O14757 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL7812869 0.83 ALOX5 (0.45) ALOX5XDHSLC22A12ADORA2AADORA1
SCHEMBL7816757 0.83 ALOX5 (0.49) ALOX5XDHSLC22A12
SCHEMBL7809239 0.80 ALOX5 (0.49) ALOX5XDHSLC22A12ADORA1KDM1A
SCHEMBL7812804 0.75 ALOX5 (0.46) ALOX5XDHSLC22A12ADORA2AADORA1
SCHEMBL7803620 0.75 ALOX5 (0.44) ALOX5ADORA2AADORA1LRRK2
SCHEMBL7812678 0.74 ALOX5 (0.47) ALOX5XDHSLC22A12
SCHEMBL7809116 0.72 ALOX5 (0.37) ALOX5XDHSLC22A12LRRK2
SCHEMBL9009118 0.71 ALOX5 (0.42) ALOX5XDHSLC22A12ADORA2AADORA1
SCHEMBL28312706 0.69 ADORA2A (0.39) ADORA2AADORA1LRRK2CHEK1
SCHEMBL7812979 0.66 ALOX5 (0.47) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 US disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed