SCHEMBL1996929

SCHEMBL1996929

CC(C)(C)[C@@]1(C)CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MLNR O43193 2/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 3/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GALR3 O60755 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL1998238 0.88 MLNR (0.42) KDM4EMLNRMEN1KMT2AMAPK1
SCHEMBL1995582 0.88 MLNR (0.57) KDM4EMLNRMEN1KMT2AMAPK1
SCHEMBL2003107 0.87 MLNR (0.47) KDM4EMLNR
SCHEMBL2003279 0.87 PRKAA2 (0.46) KDM4EMLNRMEN1KMT2AALDH1A1
SCHEMBL1995199 0.86 MLNR (0.58) KDM4EMLNRMEN1KMT2AALDH1A1
SCHEMBL1998344 0.86 MLNR (0.44) KDM4EMLNRMEN1KMT2AMAPK1
SCHEMBL1999380 0.86 MEN1 (0.48) KDM4EMLNRMEN1KMT2AMAPK1
SCHEMBL2000794 0.84 MLNR (0.45) KDM4EMLNRMEN1KMT2AMAPK1
SCHEMBL1999298 0.83 PRKAA2 (0.43) KDM4EMLNRMEN1KMT2AMAPK1
SCHEMBL2002044 0.83 MLNR (0.42) KDM4EMLNRMEN1KMT2AMAPK1

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