SCHEMBL7368543

SCHEMBL7368543

COC(=O)c1ccc(-c2nc(C)c(-c3cccnc3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.58
MAPK14 Q16539 2/20 0.56
CYP19A1 P11511 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
SLC2A1 P11166 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
IDO1 P14902 1/20 0.52
MAPK13 O15264 1/20 0.52
ALOX5 P09917 1/20 0.52

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
SCHEMBL7372293 0.86 MKNK1 (0.58) RAF1MAPK14CYP19A1CYP11B1CYP11B2
SCHEMBL7366314 0.81 MAPK13 (0.54) RAF1MAPK14CYP19A1CYP11B1CYP11B2
SCHEMBL2345607 0.79 CYP19A1 (0.74) CYP19A1CYP11B1CYP11B2SLC2A1ALDH1A1
SCHEMBL7365631 0.78 CYP11B1 (0.53) MAPK14CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL7367947 0.78 NPY5R (0.63) RAF1MAPK14CYP19A1CYP11B1CYP11B2
SCHEMBL7809400 0.78 CYP11B1 (0.59) CYP19A1CYP11B1CYP11B2SLC2A1ALDH1A1
SCHEMBL4245696 0.76 CYP11B1 (0.59) CYP19A1CYP11B1CYP11B2SLC2A1ALDH1A1
SCHEMBL5031669 0.76 ALDH1A1 (0.65) CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL7366807 0.76 NPY5R (0.59) CYP11B1CYP11B2ALDH1A1KDM4ELMNA
SCHEMBL7369244 0.75 GAA (0.55) CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E

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