SCHEMBL7369883

SCHEMBL7369883

COc1ccc(Cl)cc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
CYP17A1 P05093 3/20 0.46
CYP19A1 P11511 2/20 0.46
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 1/20 0.44
PDE4B Q07343 1/20 0.42
ALPL P05186 1/20 0.42
PDE10A Q9Y233 4/20 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 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KLK3 P07288 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
SCHEMBL7372122 0.91 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7372635 0.88 CYP11B2 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7366043 0.87 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7370764 0.86 KDM4E (0.48) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7374321 0.86 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7373136 0.85 POLB (0.51) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7369586 0.84 ROS1 (0.47) CYP11B1CYP11B2CYP3A4MAPK1KDM4E
SCHEMBL7365609 0.82 CYP19A1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4KMT2A
SCHEMBL7370838 0.82 MKNK1 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL7369440 0.82 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4

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