SCHEMBL9129012

SCHEMBL9129012

O=S(=O)(NCCc1ccc(CCCN2CCCCC2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.72
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
MBTD1 Q05BQ5 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
TBXA2R P21731 1/20 0.55
SIGMAR1 Q99720 5/20 0.54
HRH3 Q9Y5N1 4/20 0.54
SLC6A2 P23975 2/20 0.54
HRH1 P35367 2/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL9129519 0.93 LSS (0.76) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL9172903 0.89 LSS (0.64) LSSHRH3KCNH2
SCHEMBL9130927 0.89 LSS (0.90) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL3868846 0.85 LSS (0.98) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL9131391 0.85 LSS (0.65) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL9754552 0.81 MEN1 (0.84) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL7982901 0.80 HRH3 (0.73) ALDH1A1MBTD1L3MBTL1SIGMAR1HRH3
SCHEMBL9170751 0.79 HPGD (0.75) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL10463570 0.78 TBXA2R (0.80) LSSKMT2AMEN1ALDH1A1LMNA
SCHEMBL9129895 0.78 MEN1 (0.74) LSSKMT2AMEN1ALDH1A1LMNA

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 3 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-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