SCHEMBL18173518

SCHEMBL18173518

[N-]=[N+]=NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CA2 P00918 1/20 0.56
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL6917519 0.82 MGLL (0.50) LMNAALDH1A1
SCHEMBL22693760 0.79 MT-CO2 (0.37) CA12CA1CA9CA2GAA
SCHEMBL10823807 0.78 CA1 (0.43) CA1CA9CA2LMNAGAA
SCHEMBL20111162 0.78 CA9 (0.58) CA12CA1CA9CA2LMNA
SCHEMBL18180096 0.78 CA2 (0.37) CA12CA1CA9CA2LMNA
SCHEMBL11031364 0.78 CA1 (0.35) CA12CA1CA9CA2
SCHEMBL20111164 0.78 MAPT (0.44) CA12CA1CA9CA2LMNA
SCHEMBL18173521 0.77 ALDH1A1 (0.44) CA12CA1CA9CA2LMNA
SCHEMBL20118986 0.76 CNR2 (0.32) CA12CA1CA9CA2
SCHEMBL12793541 0.75 CA12 (0.71) CA12CA1CA9CA2LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100133-B2 Process for functionalising polymers AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2018-10-16 US disclosed
US-20180118857-A1 PROCESS FOR FUNCTIONALISING POLYMERS WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2018-05-03 US disclosed
US-20180118857-A1 PROCESS FOR FUNCTIONALISING POLYMERS WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2018-05-03 US disclosed
US-20180118857-A1 PROCESS FOR FUNCTIONALISING POLYMERS WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2018-05-03 US disclosed
EP-3286252-A1 PROCESS FOR FUNCTIONALISING POLYMERS Akzo Nobel Chemicals International B.V. (NL) 2018-02-28 EP disclosed
WO-2016170019-A1 PROCESS FOR FUNCTIONALISING POLYMERS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-10-27 WO disclosed
WO-2016170019-A1 PROCESS FOR FUNCTIONALISING POLYMERS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-10-27 WO disclosed