SCHEMBL7369909

SCHEMBL7369909

COc1ccc(-c2nc(-c3ccncc3)c(C)[nH]2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PDE2A O00408 1/20 0.51
TEK Q02763 10/20 0.50
SMPD3 Q9NY59 1/20 0.47
TGFBR1 P36897 1/20 0.47
NPY5R Q15761 1/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
RAF1 P04049 1/20 0.46
ALOX5 P09917 1/20 0.45
GCGR P47871 1/20 0.45

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
SCHEMBL7370913 0.85 NPY5R (0.57) NPC1RAB9APDE2ASMPD3NPY5R
SCHEMBL7365842 0.84 TGFBR1 (0.70) NPC1RAB9APDE2ATEKTGFBR1
SCHEMBL7374774 0.79 PDE2A (0.57) NPC1RAB9APDE2ATEKSMPD3
SCHEMBL7374799 0.77 SMPD3 (0.56) NPC1SMPD3TGFBR1MAPK13MAPK12
SCHEMBL4133106 0.77 NPC1 (0.64) NPC1RAB9A
SCHEMBL7365692 0.76 NPY5R (0.57) NPC1RAB9ASMPD3NPY5R
SCHEMBL941325 0.75 NOX1 (0.61) PDE2ATEKSMPD3MAPK13MAPK12
SCHEMBL20445309 0.75 SMPD3 (0.61) NPC1RAB9ASMPD3NPY5R
SCHEMBL29363231 0.75 NOX1 (0.61) PDE2ATEKSMPD3MAPK13MAPK12
Hydrochloric Acid SCHEMBL23736201 0.74 SMPD3 (0.60) NPC1RAB9ASMPD3NPY5R

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-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed