SCHEMBL20118874

SCHEMBL20118874

NS(=O)(=O)c1ccc(N2C(=O)C3CCCCC3C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.71
CA1 P00915 9/20 0.71
CA9 Q16790 9/20 0.71
CA12 O43570 7/20 0.71
POLB P06746 3/20 0.71
ALDH1A1 P00352 3/20 0.71
TDP1 Q9NUW8 1/20 0.71
MT-CO2 P00403 2/20 0.67
ALOX5 P09917 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.56
CA7 P43166 2/20 0.51
CA4 P22748 1/20 0.51
SCN2A Q99250 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 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
SCHEMBL1957622 0.93 CA2 (0.76) CA2CA1CA9CA12POLB
SCHEMBL3187957 0.83 CA2 (1.00) CA2CA1CA9CA12POLB
SCHEMBL3201396 0.78 POLB (0.65) CA2CA1CA9CA12POLB
SCHEMBL3201402 0.78 POLB (0.65) CA2CA1CA9CA12POLB
SCHEMBL9923580 0.77 CA1 (0.63) CA2CA1CA9CA12POLB
SCHEMBL20111164 0.76 MAPT (0.44) CA2CA1CA9CA12POLB
SCHEMBL3267784 0.75 ALOX15 (0.66) POLBALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3179732 0.75 KMT2A (0.67) POLBALDH1A1MT-CO2ALOX5SMN1; SMN2
SCHEMBL13265283 0.75 LMNA (0.59) POLBALDH1A1MAPTGAAHPGD
SCHEMBL5645885 0.75 ALDH1A1 (0.58) CA2CA1CA9CA12POLB

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