SCHEMBL11757962

SCHEMBL11757962

O=C(Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12)c1ccc([N+](=O)[O-])cc1.[Na].[Na]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.66
CD40LG P29965 3/20 0.66
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
CASP6 P55212 1/20 0.57
PTPN11 Q06124 1/20 0.57
PARP1 P09874 1/20 0.52
TIMP3 P35625 4/20 0.50
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CASP3 P42574 1/20 0.46
KDR P35968 2/20 0.46

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
SCHEMBL11425283 0.90 CD40 (0.64) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11432355 0.90 CD40 (0.63) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11762076 0.89 KMT2A (0.60) CD40CD40LGDUSP3PTPN5PTPN11
SCHEMBL11421827 0.88 CD40 (0.63) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11431112 0.88 CD40 (0.61) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11428711 0.86 CD40 (0.66) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11423249 0.86 CD40 (0.62) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11757957 0.86 DUSP3 (0.57) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11423070 0.84 CD40 (0.66) CD40CD40LGDUSP3PTPN5CASP6
SCHEMBL11438897 0.84 CD40 (0.49) CD40CD40LGDUSP3PTPN5CASP6

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-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed