SCHEMBL7335396

SCHEMBL7335396

CN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(OCC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.60
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
PGR P06401 2/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR27 Q9NS67 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
CASP6 P55212 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7331867 0.86 KMT2A (0.57) F2KMT2AMEN1POLBPGR
SCHEMBL7327957 0.84 MEN1 (0.58) F2KMT2AMEN1POLBPGR
SCHEMBL7332305 0.82 PGR (0.55) KMT2AMEN1PGRALDH1A1LMNA
SCHEMBL7329809 0.82 F2 (0.70) F2KMT2AMEN1POLBTSHR
SCHEMBL8542191 0.79 F2 (0.60) F2KMT2AMEN1POLBPGR
SCHEMBL7332897 0.76 KDM4E (0.52) F2PGRKDM4ETSHRGPR27
SCHEMBL8546878 0.75 F2 (1.00) F2
SCHEMBL7328258 0.73 KDM4E (0.52) F2PGRALDH1A1KDM4ETSHR
SCHEMBL7327550 0.73 TDP1 (0.53) F2ALDH1A1NPSR1LMNA
SCHEMBL5274567 0.72 ALOX15 (0.54) KMT2AALDH1A1KDM4ETSHRLMNA

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed