SCHEMBL9129697

SCHEMBL9129697

O=S(=O)(NCCc1ccc(OCCn2ccnc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.56
KMT2A Q03164 3/20 0.50
SGMS1 Q86VZ5 2/20 0.50
MEN1 O00255 2/20 0.50
LTA4H P09960 1/20 0.50
F2 P00734 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.48

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
SCHEMBL9129290 0.88 TBXAS1 (0.63) TBXAS1KMT2AMEN1ALDH1A1
SCHEMBL8584574 0.86 TBXAS1 (0.59) TBXAS1KMT2AMEN1
SCHEMBL9128410 0.82 SGMS1 (0.52) TBXAS1KMT2ASGMS1MEN1F2
SCHEMBL10837653 0.79 ALDH1A1 (0.77) TBXAS1KMT2AALDH1A1
SCHEMBL9129703 0.78 F2 (0.78) TBXAS1KMT2ASGMS1MEN1F2
SCHEMBL9131391 0.78 LSS (0.65) KMT2ASGMS1MEN1LTA4HALDH1A1
SCHEMBL9128700 0.78 MEN1 (0.65) TBXAS1KMT2ASGMS1MEN1F2
SCHEMBL10838285 0.78 ALDH1A1 (0.71) TBXAS1ALDH1A1
SCHEMBL9128289 0.77 LSS (0.55) KMT2ASGMS1MEN1LTA4HALDH1A1
SCHEMBL10836309 0.77 ALDH1A1 (0.70) TBXAS1ALDH1A1

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 2 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