SCHEMBL9301064

SCHEMBL9301064

CC(=S)c1c(C)cc2cc(OCc3ccccc3)ccc2c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
P2RY14 Q15391 1/20 0.49
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
MAOB P27338 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAOA P21397 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL9301889 0.80 ESR2 (0.41) ALOX5TDP1
SCHEMBL9303261 0.78 P2RY14 (0.57) ALOX5P2RY14CASP3SENP8SENP7
SCHEMBL9302951 0.77 P2RY14 (0.56) ALOX5P2RY14CASP3SENP8SENP7
SCHEMBL9305354 0.76 P2RY14 (0.60) ALOX5P2RY14MAOBMEN1KMT2A
SCHEMBL9301069 0.76 ALOX5 (0.45) ALOX5P2RY14CASP3SENP8SENP7
SCHEMBL9303016 0.74 P2RY14 (0.61) ALOX5P2RY14CASP3SENP8SENP7
SCHEMBL9303687 0.74 P2RY14 (0.57) ALOX5P2RY14MAOBMEN1KMT2A
SCHEMBL9301951 0.72 P2RY14 (0.55) ALOX5P2RY14MAOBMAOAACHE
SCHEMBL9303702 0.70 P2RY14 (0.53) ALOX5P2RY14MAOBNPC1RAB9A
SCHEMBL9301998 0.70 P2RY14 (0.61) ALOX5P2RY14MAOBMEN1KMT2A

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