SCHEMBL1998344

SCHEMBL1998344

CC(C)(C)[C@@]1(C)CN(Cc2ccc(NS(=O)(=O)c3ccc(Cc4ccc(F)cc4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.44
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PRKAA2 P54646 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MOGAT2 Q3SYC2 4/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL2003279 0.90 PRKAA2 (0.46) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1995199 0.89 MLNR (0.58) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL2002044 0.88 MLNR (0.42) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1997046 0.87 MEN1 (0.48) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1996929 0.86 KDM4E (0.46) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1999298 0.83 PRKAA2 (0.43) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1995582 0.83 MLNR (0.57) MLNRMEN1KMT2AKDM4EALDH1A1
SCHEMBL1999380 0.81 MEN1 (0.48) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL2856258 0.79 MLNR (0.53) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1999248 0.78 MLNR (0.60) MLNRKMT2AKDM4EALDH1A1GAA

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