SCHEMBL9128802

SCHEMBL9128802

O=S(=O)(NCCc1cccc(OCCNc2cccnc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.81
TBXAS1 P24557 9/20 0.56
PLG P00747 1/20 0.53
TBXA2R P21731 4/20 0.49
KDM4E B2RXH2 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
SCHEMBL9128291 0.89 F2 (1.00) F2TBXAS1PLGTBXA2R
SCHEMBL9129291 0.89 F2 (0.64) F2TBXAS1TBXA2R
SCHEMBL9127309 0.88 F2 (0.83) F2PLGTBXA2R
SCHEMBL9128713 0.83 F2 (0.74) F2TBXAS1PLGTBXA2RKDM4E
SCHEMBL9130373 0.83 TBXAS1 (0.59) TBXAS1TBXA2R
SCHEMBL9484732 0.81 F2 (0.57) F2TBXAS1PLGTBXA2RKDM4E
SCHEMBL9128576 0.80 F2 (0.67) F2TBXAS1PLGTBXA2R
SCHEMBL9126951 0.80 F2 (0.69) F2TBXAS1PLGTBXA2R
SCHEMBL9129898 0.79 F2 (0.68) F2PLGTBXA2R
Hydrochloric Acid SCHEMBL9132077 0.79 F2 (0.68) F2TBXAS1PLGTBXA2R

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-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed