SCHEMBL11067952

SCHEMBL11067952

O=C(O)c1ccc(Cc2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.67
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
ALDH1A1 P00352 1/20 0.56
APP P05067 1/20 0.56
GAA P10253 1/20 0.56
HCAR3 P49019 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
SRD5A2 P31213 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51

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
Hydrochloric Acid SCHEMBL11062270 0.98 TBXAS1 (0.68) TBXAS1MKNK1MKNK2ALDH1A1APP
SCHEMBL8996251 0.86 TBXAS1 (0.58) TBXAS1MKNK1MKNK2ALDH1A1APP
SCHEMBL11062489 0.85 TBXAS1 (0.69) TBXAS1
SCHEMBL10627493 0.85 TBXAS1 (0.54) TBXAS1ALDH1A1APPGAAHCAR3
SCHEMBL10626415 0.84 TBXAS1 (0.53) TBXAS1ALDH1A1APPGAAHCAR3
Hydrochloric Acid SCHEMBL10629558 0.84 TBXAS1 (0.55) TBXAS1ALDH1A1APPGAAHCAR3
SCHEMBL13403930 0.83 KMO (0.59) TBXAS1ALDH1A1APPGAAHCAR3
SCHEMBL5353235 0.83 TBXAS1 (0.62) TBXAS1MKNK1MKNK2ALDH1A1APP
Aminomethylbenzoic Acid SCHEMBL5211981 0.83 MKNK1 (0.54) TBXAS1MKNK1MKNK2ALDH1A1APP
SCHEMBL11062604 0.83 TBXAS1 (0.67) TBXAS1NAPRT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US claimed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US disclosed