SCHEMBL8807237

SCHEMBL8807237

O=Cc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.65
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL10681531 0.87 CHRNA7 (0.52) TBXAS1CYP1A2CYP2D6HRH4HRH3
SCHEMBL11066566 0.84 TBXAS1 (0.52) TBXAS1ALDH1A1
SCHEMBL17541046 0.83 TBXAS1 (0.48) TBXAS1CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL727185 0.82 CYP1A2 (0.62) TBXAS1CYP1A2CYP2D6CYP11B1CYP11B2
Formic Acid SCHEMBL27652252 0.81 TBXAS1 (0.61) TBXAS1CYP1A2CYP2D6CYP11B1CYP11B2
SCHEMBL10659378 0.81 TBXAS1 (0.67) TBXAS1ALDH1A1
SCHEMBL10659382 0.81 TBXAS1 (0.67) TBXAS1ALDH1A1
SCHEMBL9401843 0.81 TBXAS1 (0.64) TBXAS1CYP1A2CYP2D6CYP11B1CYP11B2
SCHEMBL9401838 0.81 TBXAS1 (0.64) TBXAS1CYP1A2CYP2D6CYP11B1CYP11B2
Formic Acid SCHEMBL27873643 0.80 TBXAS1 (0.59) TBXAS1CYP1A2CYP2D6CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO 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