SCHEMBL8006747

SCHEMBL8006747

COc1ccc(C(=O)c2ccc([N+](=O)O)c(S(N)(=O)=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.52
CA2 P00918 4/20 0.52
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
RAF1 P04049 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
GAA P10253 2/20 0.48
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43

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
SCHEMBL940887 0.88 MAPT (0.61) STSCA2MAPTALDH1A1LMNA
SCHEMBL8004203 0.81 STS (0.57) STSCA2MAPTALDH1A1LMNA
SCHEMBL939753 0.81 STS (0.57) STSCA2MAPTALDH1A1LMNA
SCHEMBL940166 0.80 MMP2 (0.60) STSCA2MAPTALDH1A1LMNA
SCHEMBL939804 0.80 STS (0.56) STSCA2MAPTALDH1A1LMNA
SCHEMBL940275 0.80 STS (0.56) STSCA2MAPTALDH1A1LMNA
SCHEMBL940700 0.77 CA2 (0.53) STSCA2MAPTALDH1A1LMNA
SCHEMBL940893 0.75 CA2 (0.51) STSCA2MAPTALDH1A1LMNA
SCHEMBL939812 0.75 CA2 (0.53) STSCA2MAPTALDH1A1LMNA
SCHEMBL940263 0.72 STS (0.68) STSCA2ALDH1A1GAACA1

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-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 WO disclosed