SCHEMBL11423070

SCHEMBL11423070

O=C(Nc1ccc2c(S(=O)(=O)O)cccc2c1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.66
CD40LG P29965 3/20 0.66
NPC1 O15118 3/20 0.52
DUSP3 P51452 2/20 0.51
PTPN5 P54829 2/20 0.51
PTPN11 Q06124 2/20 0.51
CASP6 P55212 1/20 0.51
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP3 P42574 1/20 0.46
KDR P35968 1/20 0.46
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL11425155 0.89 KMT2A (0.57) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11433370 0.87 CD40 (0.64) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11434698 0.86 CD40 (0.66) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11757962 0.84 CD40 (0.66) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11424407 0.84 CD40 (0.57) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11423249 0.84 CD40 (0.62) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11433094 0.83 TTR (0.46) CD40CD40LGCASP6MAPTALDH1A1
SCHEMBL11432355 0.83 CD40 (0.63) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11425283 0.83 CD40 (0.64) CD40CD40LGNPC1DUSP3PTPN5
SCHEMBL11425089 0.83 CD40 (0.72) CD40CD40LGNPC1DUSP3PTPN5

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed