SCHEMBL7375348

SCHEMBL7375348

CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 7/20 0.44
CHEK2 O96017 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL7376435 0.88 MEN1 (0.50) NPC1RAB9AGAAMAPTCHEK2
SCHEMBL7369834 0.83 MAPT (0.47) MAPTCHEK2MEN1KMT2AMMP2
SCHEMBL7367756 0.81 MAP2K4 (0.47) GAAMAPTCHEK2MEN1KMT2A
SCHEMBL7372182 0.80 MMP2 (0.49) MAPTMEN1KMT2AALDH1A1MMP2
SCHEMBL7370197 0.77 MMP2 (0.48) MAPTMMP2MMP9MMP8MMP13
SCHEMBL7451273 0.74 POLB (0.77) NPC1RAB9AGAAPOLBMAPT
SCHEMBL7372718 0.74 MAPT (0.44) MAPTMEN1KMT2AALDH1A1MMP2
SCHEMBL7370125 0.72 MAPT (0.49) MAPTCHEK2MEN1KMT2AMMP2
SCHEMBL7375504 0.69 MEN1 (0.65) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7941257 0.68 KMT2A (0.54) NPC1RAB9AGAACHEK2MEN1

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