SCHEMBL7375504

SCHEMBL7375504

CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
AKR1C3 P42330 1/20 0.58
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GFER P55789 1/20 0.56
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAPT P10636 2/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 1/20 0.54
PFKFB3 Q16875 1/20 0.53
PGR P06401 1/20 0.52
BRD4 O60885 1/20 0.52

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
SCHEMBL30926677 0.85 KMT2A (0.73) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL27180940 0.85 KMT2A (0.73) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30702318 0.81 PFKFB3 (0.76) MEN1KMT2AAKR1C3GFERHDAC2
SCHEMBL4063367 0.81 PFKFB3 (0.76) MEN1KMT2AAKR1C3GFERHDAC2
SCHEMBL30702319 0.81 PFKFB3 (0.76) MEN1KMT2AAKR1C3GFERHDAC2
SCHEMBL14659760 0.81 MEN1 (0.65) MEN1KMT2AAKR1C3ALDH1A1GFER
SCHEMBL14423923 0.80 AKR1C3 (0.58) MEN1KMT2AAKR1C3ALDH1A1L3MBTL1
SCHEMBL14680112 0.79 KMT2A (0.60) MEN1KMT2AAKR1C3ALDH1A1L3MBTL1
SCHEMBL7366821 0.79 AKR1C3 (0.67) MEN1KMT2AAKR1C3GFERHDAC2
SCHEMBL4253424 0.79 MEN1 (0.79) MEN1KMT2ARAB9AAKR1C3GFER

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
WO-2001074786-A1 HETEROBIARYLSULPHONAMIDES AND THEIR USE AS PDE 7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-10-11 WO disclosed