SCHEMBL1997573

SCHEMBL1997573

CN(c1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1)S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1999431 0.89 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL1997413 0.86 MLNR (0.42) KMT2AMEN1CYP2D6LMNAMAPT
SCHEMBL1996027 0.83 S1PR1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1996929 0.83 KDM4E (0.46) ALDH1A1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL2766195 0.82 MLNR (0.41) ALDH1A1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL2856328 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL2002044 0.75 MLNR (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2002729 0.75 MLNR (0.36) ALDH1A1KMT2AMEN1CYP2D6MAPT
SCHEMBL1998238 0.74 MLNR (0.42) ALDH1A1KMT2AMEN1CYP2D6LMNA
SCHEMBL2003107 0.73 MLNR (0.47) KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed