SCHEMBL9128239

SCHEMBL9128239

O=S(=O)(NCCc1ccc(OCCN(CCO)CCO)cc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TBXA2R P21731 3/20 0.54
PPARG P37231 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TBXAS1 P24557 1/20 0.49
PRMT1 Q99873 1/20 0.47
LSS P48449 1/20 0.47
F2 P00734 2/20 0.46
PLG P00747 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
SCHEMBL9128372 0.88 MEN1 (0.56) SGMS1MEN1KMT2ATBXA2RPPARG
SCHEMBL9129414 0.87 F2 (0.62) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9128346 0.84 SGMS1 (0.57) SGMS1MEN1KMT2ATBXA2RPPARG
SCHEMBL9128700 0.81 MEN1 (0.65) SGMS1MEN1KMT2ATBXA2RPPARG
SCHEMBL9130180 0.79 MEN1 (0.62) SGMS1MEN1KMT2ATBXA2RPPARG
SCHEMBL10460235 0.79 MEN1 (0.73) SGMS1MEN1KMT2ATBXA2RPPARG
SCHEMBL9129452 0.78 MEN1 (0.58) SGMS1MEN1KMT2ATBXA2RPPARG
SCHEMBL8840163 0.78 TBXA2R (0.79) SGMS1MEN1KMT2ATBXA2RALDH1A1
SCHEMBL9754552 0.78 MEN1 (0.84) MEN1KMT2ATBXA2RPPARGALDH1A1
SCHEMBL6984230 0.77 TBXA2R (0.60) SGMS1TBXA2RALDH1A1TBXAS1

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