SCHEMBL7372122

SCHEMBL7372122

COc1cc(Cl)ccc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
CYP19A1 P11511 4/20 0.46
CYP17A1 P05093 3/20 0.46
CYP3A4 P08684 4/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NR1I2 O75469 1/20 0.44
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
PDE10A Q9Y233 3/20 0.42
PDE2A O00408 2/20 0.42
PDE5A O76074 2/20 0.42
PDE11A Q9HCR9 2/20 0.42
PDE4A P27815 1/20 0.42
MAPK1 P28482 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 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
SCHEMBL7369883 0.91 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7370838 0.89 MKNK1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7370568 0.88 CYP3A4 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7366043 0.87 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7370764 0.86 KDM4E (0.48) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7369586 0.86 ROS1 (0.47) CYP11B1CYP11B2CYP3A4NR1I2HSD11B1
SCHEMBL7374321 0.86 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7373136 0.85 POLB (0.51) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7372273 0.85 MKNK1 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL7371256 0.83 MKNK1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4

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