SCHEMBL21469178

SCHEMBL21469178

CC(=O)N1CCc2cc(Cl)c(S(N)(=O)=O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP11B2 P19099 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TRIM24 O15164 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
SCHEMBL15882287 0.87 NOTUM (0.55) NOTUMLMNASMN1; SMN2PKMKMT2A
SCHEMBL29707987 0.87 NOTUM (0.55) NOTUMLMNASMN1; SMN2PKMKMT2A
SCHEMBL14058949 0.84 ACLY (0.53) NOTUMSMN1; SMN2KMT2AALDH1A1TRIM24
SCHEMBL29707960 0.84 NOTUM (0.51) NOTUMLMNAPKMKMT2ACYP11B2
SCHEMBL17545345 0.84 NPSR1 (0.57) NOTUMLMNAKMT2AALDH1A1
SCHEMBL15882573 0.84 NOTUM (0.51) NOTUMLMNAPKMKMT2ACYP11B2
SCHEMBL32673770 0.83 NOTUM (0.54) NOTUMLMNASMN1; SMN2CYP11B2CA12
SCHEMBL7140297 0.83 NOTUM (0.54) NOTUMLMNASMN1; SMN2CYP11B2CA12
SCHEMBL17545082 0.83 NPSR1 (0.59) NOTUMLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL7610677 0.82 NOTUM (0.49) NOTUMLMNASMN1; SMN2CYP11B2ALDH1A1

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-3180312-B1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME UNIV LOYOLA CHICAGO (US) 2019-10-16 EP disclosed