SCHEMBL9129452

SCHEMBL9129452

CCNCCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SGMS1 Q86VZ5 2/20 0.55
TBXA2R P21731 1/20 0.54
PPARG P37231 2/20 0.53
MAPT P10636 1/20 0.52
F2 P00734 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PRMT1 Q99873 1/20 0.50
POLB P06746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LSS P48449 1/20 0.49

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
SCHEMBL9129518 0.87 MEN1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2TBXA2R
SCHEMBL9128346 0.87 SGMS1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9129898 0.86 F2 (0.68) MEN1KMT2AALDH1A1SGMS1TBXA2R
SCHEMBL9128700 0.84 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9128372 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL23648967 0.83 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL13972873 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL9130180 0.82 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1
SCHEMBL10589292 0.81 ALDH1A1 (0.86) MEN1KMT2AALDH1A1SMN1; SMN2TBXA2R
SCHEMBL9127591 0.81 SGMS1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2SGMS1

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