SCHEMBL9130373

SCHEMBL9130373

O=S(=O)(NCCc1ccc(CCNc2cccnc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.59
TBXA2R P21731 14/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NAMPT P43490 1/20 0.57
PRMT1 Q99873 1/20 0.56

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
SCHEMBL9129291 0.90 F2 (0.64) TBXAS1TBXA2RMEN1KMT2ANAMPT
SCHEMBL9128640 0.85 F2 (0.66) TBXAS1TBXA2RMEN1KMT2APRMT1
SCHEMBL10836333 0.85 TBXAS1 (0.71) TBXAS1TBXA2RPRMT1
SCHEMBL9485381 0.84 TBXAS1 (0.58) TBXAS1TBXA2RMEN1KMT2ANAMPT
SCHEMBL9128802 0.83 F2 (0.81) TBXAS1TBXA2R
SCHEMBL9207918 0.81 TBXAS1 (0.73) TBXAS1TBXA2R
SCHEMBL9754552 0.80 MEN1 (0.84) TBXA2RMEN1KMT2APRMT1
SCHEMBL9754483 0.78 MEN1 (0.75) TBXA2RMEN1KMT2APRMT1
SCHEMBL9128371 0.77 KMT2A (0.59) TBXA2RMEN1KMT2APRMT1
SCHEMBL1287281 0.76 PRMT1 (0.83) TBXA2RMEN1KMT2APRMT1

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