SCHEMBL7368735

SCHEMBL7368735

COc1cc(-c2nc(C)c(-c3cccnc3)[nH]2)cc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 12/20 0.52
NOX1 Q9Y5S8 1/20 0.49
AMY1A P0DUB6 2/20 0.46
ERN1 O75460 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42

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
SCHEMBL7370040 0.88 TUBB4A (0.48) SMPD3MAPTTP53BRAFKDM4E
SCHEMBL27674785 0.85 CYP11B1 (0.48) MAPTTP53BRAFKDM4EALDH1A1
SCHEMBL7369283 0.83 NOX1 (0.59) SMPD3NOX1BRAFKDM4EALDH1A1
SCHEMBL7366807 0.82 NPY5R (0.59) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL7369244 0.81 GAA (0.55) SMPD3NOX1MAPTBRAFKDM4E
SCHEMBL7373890 0.80 PDGFRB (0.44) KDM4ENPY5RTUBB4ATUBBTUBA3C
SCHEMBL7371101 0.79 PDGFRB (0.44) NPY5RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7375046 0.79 NPY5R (0.55) MAPTBRAFKDM4EALDH1A1HPGD
SCHEMBL22291217 0.79 SMPD3 (0.76) SMPD3NOX1AMY1AMAPTTP53
SCHEMBL7370258 0.78 MKNK1 (0.46) NPY5RTUBB4ATUBBTUBA3CTUBA1B

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