SCHEMBL11067979

SCHEMBL11067979

O=C(O)C(Br)=Cc1ccc(Cc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 1.00
NAPRT Q6XQN6 1/20 0.47

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
SCHEMBL11067972 1.00 TBXAS1 (1.00) TBXAS1NAPRT
SCHEMBL11067976 1.00 TBXAS1 (1.00) TBXAS1NAPRT
Hydrochloric Acid SCHEMBL11062164 0.99 TBXAS1 (1.00) TBXAS1NAPRT
Hydrochloric Acid SCHEMBL11062171 0.99 TBXAS1 (1.00) TBXAS1NAPRT
Hydrochloric Acid SCHEMBL11062168 0.99 TBXAS1 (1.00) TBXAS1NAPRT
SCHEMBL7284398 0.87 TBXAS1 (0.97) TBXAS1
SCHEMBL7284401 0.87 TBXAS1 (0.97) TBXAS1
Hydrochloric Acid SCHEMBL1568842 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL2924566 0.86 TBXAS1 (0.95) TBXAS1
Hydrochloric Acid SCHEMBL727407 0.86 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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