SCHEMBL9440569

SCHEMBL9440569

NS(=O)(=O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
CA2 P00918 8/20 0.55
CA12 O43570 7/20 0.55
CA1 P00915 6/20 0.55
CA9 Q16790 6/20 0.55
CA5A P35218 3/20 0.55
CA14 Q9ULX7 2/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
CA13 Q8N1Q1 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL1219754 0.85 TDP1 (0.58) GPR35CA2CA12CA1CA9
SCHEMBL29426295 0.85 TDP1 (0.58) GPR35CA2CA12CA1CA9
SCHEMBL3121543 0.84 ALDH1A1 (0.55) CA2CA12CA1CA9CA5A
Hydrochloric Acid SCHEMBL28246982 0.84 TDP1 (0.56) GPR35CA2CA12CA1CA9
SCHEMBL30451696 0.83 CA2 (0.57) CA2CA12CA1CA9CA5A
SCHEMBL392987 0.83 CA2 (0.57) CA2CA12CA1CA9CA5A
SCHEMBL18301990 0.81 GAA (0.59) GPR35CA2CA12CA1CA9
SCHEMBL19552612 0.81 CA2 (0.55) CA2CA12CA1CA9CA5A
SCHEMBL23668294 0.81 ALDH1A1 (0.52) GPR35CA2CA12CA1CA9
SCHEMBL669057 0.81 GPR35 (0.56) GPR35TDP1ALDH1A1TP53HPGD

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-0244177-B1 Method for processing light-sensitive silver halide color photographic material KONISHIROKU PHOTO IND (JP) 1994-05-04 EP disclosed