SCHEMBL9129703

SCHEMBL9129703

O=S(=O)(NCCc1ccc(OCCNc2ccncc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.78
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SGMS1 Q86VZ5 2/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 1/20 0.50
PPARG P37231 1/20 0.49
PRMT1 Q99873 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TBXAS1 P24557 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
SCHEMBL9128640 0.89 F2 (0.66) F2MEN1KMT2ALMNAHTT
SCHEMBL9128291 0.88 F2 (1.00) F2TBXA2RPRMT1TBXAS1
SCHEMBL9129291 0.88 F2 (0.64) F2MEN1KMT2ASGMS1HTT
SCHEMBL9131485 0.83 F2 (0.58) F2MEN1KMT2ASGMS1LMNA
SCHEMBL9128700 0.80 MEN1 (0.65) F2MEN1KMT2ASGMS1ALDH1A1
SCHEMBL9129452 0.80 MEN1 (0.58) F2MEN1KMT2ASGMS1LMNA
SCHEMBL9484319 0.79 F2 (0.53) F2MEN1KMT2ASGMS1LMNA
SCHEMBL9128346 0.79 SGMS1 (0.57) F2MEN1KMT2ASGMS1ALDH1A1
SCHEMBL9130180 0.78 MEN1 (0.62) F2MEN1KMT2ASGMS1ALDH1A1
SCHEMBL9129697 0.78 TBXAS1 (0.56) F2MEN1KMT2ASGMS1ALDH1A1

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