SCHEMBL10448367

SCHEMBL10448367

CC(C)(NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 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
SCHEMBL15199343 0.88 ACHE (0.53) CA2CA12CA9CA1CA3
SCHEMBL6903823 0.82 NR3C2 (0.53) CA2CA1ALDH1A1KMT2AMEN1
SCHEMBL17341893 0.80 CA2 (0.50) CA2CA12CA9CA1CA3
SCHEMBL3046201 0.79 CA2 (0.65) CA2CA12CA9CA1CA3
SCHEMBL9765329 0.78 MEN1 (0.51) CA2CA1ALDH1A1KMT2AMEN1
SCHEMBL10448561 0.78 KEAP1 (0.53) CA2CA12CA9CA1ALDH1A1
SCHEMBL14061940 0.77 CA2 (0.69) CA2CA12CA9CA1CA3
SCHEMBL18726029 0.76 CA12 (0.54) CA2CA12CA9CA1ALDH1A1
SCHEMBL14676346 0.76 CA2 (0.56) CA2CA12CA9CA1CA3
SCHEMBL21690373 0.75 DUT (0.56) ALDH1A1MAPTSMN1; SMN2GAADUT

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-0375557-A1 Glycine derivative process for preparation thereof, and pharmaceutical composition containing it TANABE SEIYAKU CO., LTD. (JP) 1990-06-27 EP disclosed