SCHEMBL7369440

SCHEMBL7369440

COc1ccc(-c2nc(C)c(-c3cccnc3)n2O)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP17A1 P05093 2/20 0.45
CYP19A1 P11511 1/20 0.45
CYP3A4 P08684 2/20 0.44
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
NPC1 O15118 1/20 0.41
P2RX7 Q99572 1/20 0.40
KLK3 P07288 1/20 0.40
ABCB1 P08183 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 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
SCHEMBL7368774 0.91 P2RX7 (0.50) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7373136 0.84 POLB (0.51) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370838 0.84 MKNK1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370764 0.83 KDM4E (0.48) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370295 0.83 POLB (0.52) PDE10APDE2APDE5APDE4APDE11A
SCHEMBL7372635 0.83 CYP11B2 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370568 0.83 CYP3A4 (0.55) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7372122 0.82 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7369883 0.82 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370741 0.81 MAPT (0.54) MKNK1MKNK2PDE10APDE2APDE5A

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