SCHEMBL4286411

SCHEMBL4286411

CC(=O)c1cccc(N(Cc2ccccc2)S(C)(=O)=O)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN1 P18031 2/20 0.44
MAOB P27338 2/20 0.42
NR3C1 P04150 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7110837 0.88 L3MBTL1 (0.57) L3MBTL1ALDH1A1MEN1KMT2APTPN1
SCHEMBL963777 0.75 MEN1 (0.52) L3MBTL1ALDH1A1MEN1KMT2APTPN1
SCHEMBL7107174 0.75 L3MBTL1 (0.52) L3MBTL1ALDH1A1PTPN1PTPN6SMN1; SMN2
SCHEMBL8980650 0.75 MAOB (0.54) L3MBTL1ALDH1A1MEN1KMT2APTPN1
SCHEMBL12513035 0.75 L3MBTL1 (0.61) L3MBTL1ALDH1A1MEN1KMT2APTPN1
SCHEMBL8489879 0.74 MAPT (0.57) L3MBTL1MEN1KMT2AMAOBMAPT
SCHEMBL3148815 0.73 MAPT (0.47) L3MBTL1ALDH1A1MEN1KMT2APTPN1
SCHEMBL3292376 0.72 CYP19A1 (0.48) L3MBTL1ALDH1A1PTPN1CYP19A1PTPN2
SCHEMBL21775799 0.71 PTGER1 (0.49) ALDH1A1MEN1KMT2AMAOBALOX5
SCHEMBL29502992 0.71 SCN9A (0.58) L3MBTL1MEN1KMT2AMAPTCYP2C9

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
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 EP disclosed
WO-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 WO disclosed