SCHEMBL7367019

SCHEMBL7367019

COc1cc(-c2nc(C)c(-c3cccnc3)n2O)ccc1SC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.43
PDE10A Q9Y233 4/20 0.43
PDE5A O76074 3/20 0.43
PDE11A Q9HCR9 3/20 0.43
PDE4A P27815 1/20 0.43
MAPT P10636 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GLA P06280 1/20 0.41
S1PR1 P21453 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FYN P06241 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL7370741 0.88 MAPT (0.54) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7372230 0.85 FYN (0.50) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7373609 0.83 MAPT (0.44) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7370295 0.83 POLB (0.52) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7368881 0.79 CYP11B2 (0.51) MAPTGLANPC1RAB9ASMN1; SMN2
SCHEMBL7370764 0.78 KDM4E (0.48) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7374247 0.78 ERN1 (0.46) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7375818 0.78 POLB (0.45) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL7365766 0.78 APLNR (0.45) PDE2APDE10APDE5APDE11APDE4A
SCHEMBL10567162 0.77 CYP11B2 (0.45) PDE2APDE10APDE5APDE11APDE4A

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