SCHEMBL7370197

SCHEMBL7370197

N#Cc1cccc(NS(=O)(=O)c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
HSPE1 P61604 1/20 0.44
BRD4 O60885 1/20 0.43
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
SGK1 O00141 2/20 0.39
ATIC P31939 1/20 0.39
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39

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
SCHEMBL7367756 0.92 MAP2K4 (0.47) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL7372182 0.83 MMP2 (0.49) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL7369834 0.83 MAPT (0.47) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL7375348 0.77 NPC1 (0.49) MMP2MMP9MMP8MMP13TP53
SCHEMBL7376435 0.76 MEN1 (0.50) TP53MAPT
SCHEMBL7372718 0.76 MAPT (0.44) MMP2MMP9MMP8MMP13KDM1A
SCHEMBL7370125 0.76 MAPT (0.49) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL16147276 0.73 MMP2 (0.78) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL14632373 0.71 L3MBTL1 (0.61) MMP2MMP9MMP8MMP13HSPD1
SCHEMBL1895139 0.70 MEN1 (0.56) MMP2MMP9MMP8MAPT

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