SCHEMBL2214743

SCHEMBL2214743

O=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CCCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.47
RHOA P61586 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 2/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
SPR P35270 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL302916 0.92 KMT2A (0.46) VNN1KMT2AMEN1CYP3A4PKM
SCHEMBL303319 0.90 LMNA (0.48) KMT2AMEN1CYP3A4PKMLMNA
SCHEMBL302831 0.89 CYP3A4 (0.45) RHOAKMT2AMEN1CYP3A4PKM
SCHEMBL2246857 0.80 MEN1 (0.65) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL1723232 0.80 LMNA (0.54) KMT2AMEN1CYP3A4PKMLMNA
SCHEMBL2186628 0.79 GRM5 (0.49) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL301712 0.79 GRM5 (0.52) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL2209547 0.79 LMNA (0.43) KMT2ALMNAALDH1A1SPRHTT
SCHEMBL13064516 0.79 LMNA (0.60) KMT2AMEN1PKMLMNAHPGD
SCHEMBL2188728 0.79 SPR (0.49) KMT2AMEN1PKMLMNAALDH1A1

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-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed