SCHEMBL7366314

SCHEMBL7366314

COc1ccc(-c2nc(C)c(-c3cccnc3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
MAPK14 Q16539 2/20 0.54
RAF1 P04049 1/20 0.54
CYP11B2 P19099 4/20 0.52
CYP11B1 P15538 3/20 0.52
CYP17A1 P05093 2/20 0.52
CYP19A1 P11511 2/20 0.52
AURKA O14965 1/20 0.52
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL20445285 0.84 MAPT (0.64) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7365631 0.83 CYP11B1 (0.53) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL7367947 0.83 NPY5R (0.63) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7366807 0.83 NPY5R (0.59) CYP11B2CYP11B1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL23736191 0.83 MAPT (0.63) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL19868943 0.83 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7371561 0.83 PDE2A (0.56) CYP11B2CYP11B1CYP17A1CYP19A1KDM4E
SCHEMBL7372367 0.82 CYP11B2 (0.45) CYP11B2CYP11B1CYP17A1CYP19A1KDM4E
Hydrochloric Acid SCHEMBL7370882 0.82 PDE2A (0.55) CYP11B2CYP11B1CYP17A1CYP19A1KDM4E
SCHEMBL7368543 0.81 RAF1 (0.58) MAPK13MAPK12MAPK11MAPK14RAF1

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 3 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
CN-87105680-A Imidazolium compounds and preparation method thereof and comprise the pharmaceutical composition of this compound 1988-04-27 CN 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