SCHEMBL8517012

SCHEMBL8517012

NS(=O)(=O)c1ccc(-c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CA2 P00918 15/20 0.59
CA9 Q16790 15/20 0.59
CA12 O43570 14/20 0.59
CA1 P00915 12/20 0.57
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA6 P23280 1/20 0.53
OPRK1 P41145 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.52
CHRNA7 P36544 1/20 0.49

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
SCHEMBL9097181 0.94 LMNA (0.70) LMNAKDM4EALDH1A1CA2CA9
SCHEMBL8193969 0.92 LMNA (0.68) LMNAKDM4EALDH1A1CA2CA9
SCHEMBL18118191 0.92 LMNA (0.68) LMNAKDM4EALDH1A1CA2CA9
SCHEMBL18118187 0.90 LMNA (0.70) LMNAKDM4EALDH1A1CA2CA9
SCHEMBL7652825 0.81 LMNA (0.54) LMNAKDM4EALDH1A1MAPK1HTT
Hydrochloric Acid SCHEMBL7652831 0.81 LMNA (0.54) LMNAKDM4EALDH1A1MAPK1HTT
Hydrochloric Acid SCHEMBL7652732 0.80 LMNA (0.53) LMNAKDM4EALDH1A1MAPK1HTT
SCHEMBL7652722 0.80 LMNA (0.53) LMNAKDM4EALDH1A1CA2CA9
SCHEMBL11548897 0.79 ALDH1A1 (0.58) LMNAKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL5722180 0.79 ALDH1A1 (0.66) LMNAKDM4EALDH1A1CA2CA9

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
EP-0877018-B1 Sulfonylaminocarboxylic acids AVENTIS PHARMA GMBH (DE) 2003-05-02 EP disclosed