SCHEMBL20118964

SCHEMBL20118964

NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 1.00
CA2 P00918 13/20 1.00
CA9 Q16790 13/20 1.00
CA12 O43570 11/20 1.00
LMNA P02545 1/20 0.59
SCN2A Q99250 1/20 0.58
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA7 P43166 2/20 0.56
CA4 P22748 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8299104 0.92 CA1 (0.86) CA1CA2CA9CA12LMNA
SCHEMBL12793541 0.83 CA12 (0.71) CA1CA2CA9CA12LMNA
SCHEMBL481254 0.80 CA12 (0.67) CA1CA2CA9CA12LMNA
SCHEMBL11478927 0.80 CA12 (0.67) CA1CA2CA9CA12LMNA
SCHEMBL1632277 0.78 CA1 (0.63) CA1CA2CA9CA12SCN2A
SCHEMBL1957622 0.76 CA2 (0.76) CA1CA2CA9CA12SCN2A
SCHEMBL12793823 0.76 ALDH1A1 (0.68) CA1CA2CA9CA12LMNA
SCHEMBL11644411 0.74 CA1 (0.74) CA1CA2CA9CA12SCN2A
SCHEMBL18118186 0.74 AKR1C3 (0.65) CA1CA2CA9CA12LMNA
SCHEMBL22693763 0.74 CA1 (0.58) CA1CA2CA9CA12SCN2A

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
US-20180118857-A1 PROCESS FOR FUNCTIONALISING POLYMERS WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2018-05-03 US disclosed