SCHEMBL10567162

SCHEMBL10567162

COc1cc(OC)c(-c2nc(C)c(-c3cccnc3)n2O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.45
CYP11B1 P15538 6/20 0.45
PDE2A O00408 2/20 0.44
PDE5A O76074 2/20 0.44
PDE11A Q9HCR9 2/20 0.44
PDE10A Q9Y233 2/20 0.44
PDE4A P27815 1/20 0.44
CYP17A1 P05093 5/20 0.44
CYP19A1 P11511 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 1/20 0.41
CRHR1 P34998 1/20 0.41
GABRA1 P14867 1/20 0.41

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
SCHEMBL7365766 0.89 APLNR (0.45) CYP11B2CYP11B1PDE2APDE5APDE11A
SCHEMBL7370568 0.86 CYP3A4 (0.55) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL7372635 0.84 CYP11B2 (0.52) CYP11B2CYP11B1PDE2APDE5APDE11A
SCHEMBL7368881 0.83 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL7370764 0.82 KDM4E (0.48) CYP11B2CYP11B1PDE2APDE5APDE11A
SCHEMBL7370741 0.82 MAPT (0.54) PDE2APDE5APDE11APDE10APDE4A
SCHEMBL7370295 0.82 POLB (0.52) PDE2APDE5APDE11APDE10APDE4A
SCHEMBL7373136 0.81 POLB (0.51) CYP11B2CYP11B1PDE2APDE5APDE11A
SCHEMBL7370838 0.80 MKNK1 (0.46) CYP11B2CYP11B1PDE2APDE5APDE11A
SCHEMBL7373609 0.80 MAPT (0.44) CYP11B2CYP11B1PDE2APDE5APDE11A

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 1 patent. 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