SCHEMBL2003279

SCHEMBL2003279

CC(C)(C)[C@@]1(C)CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.46
MLNR O43193 5/20 0.45
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
CNR2 P34972 1/20 0.40
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MOGAT2 Q3SYC2 2/20 0.37

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
SCHEMBL1999298 0.92 PRKAA2 (0.43) PRKAA2MLNRMEN1NPC1RAB9A
SCHEMBL1995199 0.90 MLNR (0.58) PRKAA2MLNRMEN1NPC1RAB9A
SCHEMBL1998344 0.90 MLNR (0.44) PRKAA2MLNRMEN1NPC1RAB9A
SCHEMBL1997046 0.88 MEN1 (0.48) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL2002044 0.87 MLNR (0.42) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1996929 0.87 KDM4E (0.46) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1995582 0.83 MLNR (0.57) MLNRMEN1KMT2AKDM4EALDH1A1
SCHEMBL1999380 0.82 MEN1 (0.48) MLNRMEN1NPC1RAB9AKMT2A
SCHEMBL1999248 0.80 MLNR (0.60) MLNRKMT2AKDM4EUSP2ALDH1A1
SCHEMBL3659038 0.80 MLNR (0.53) PRKAA2MLNRMEN1NPC1RAB9A

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