SCHEMBL4733033

SCHEMBL4733033

O=C(O)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.48
EPHX2 P34913 1/20 0.47
TBXA2R P21731 5/20 0.47
HTT P42858 2/20 0.46

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
SCHEMBL4101640 0.93 MEN1 (0.62) MEN1KMT2ACA1CA2MMP1
SCHEMBL4101645 0.93 MEN1 (0.62) MEN1KMT2ACA1CA2MMP1
SCHEMBL18230266 0.86 MEN1 (0.66) MEN1KMT2ACA1CA2MMP1
SCHEMBL18230267 0.86 MEN1 (0.66) MEN1KMT2ACA1CA2MMP1
SCHEMBL6418180 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL6418177 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL2107778 0.84 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTDRD2
SCHEMBL31234802 0.84 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTDRD2
SCHEMBL2821240 0.84 KMT2A (0.88) MEN1KMT2ACA1CA2MMP1
SCHEMBL30737179 0.84 KMT2A (0.88) MEN1KMT2ACA1CA2MMP1

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-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed