SCHEMBL11433859

SCHEMBL11433859

O=C(Nc1c(O)ccc2cccc(S(=O)(=O)O)c12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.63
CD40LG P29965 3/20 0.63
RAB9A P51151 3/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 3/20 0.48
KDR P35968 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
DUSP3 P51452 2/20 0.44
PTPN5 P54829 2/20 0.44
PTPN11 Q06124 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TYMS P04818 1/20 0.43
CASP6 P55212 1/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL11422168 0.89 RAB9A (0.55) CD40CD40LGRAB9AMAPTNPC1
SCHEMBL11439499 0.87 CD40 (0.58) CD40CD40LGRAB9AMAPTNPC1
SCHEMBL11425089 0.84 CD40 (0.72) CD40CD40LGRAB9AMAPTNPC1
SCHEMBL11440746 0.84 CD40 (0.45) CD40CD40LGPTPN11MEN1KMT2A
SCHEMBL11430356 0.83 MEN1 (0.54) CD40CD40LGRAB9AMAPTNPC1
SCHEMBL11425195 0.83 MAPT (0.50) CD40CD40LGRAB9AMAPTNPC1
SCHEMBL11424407 0.83 CD40 (0.57) CD40CD40LGRAB9AMAPTNPC1
SCHEMBL11341346 0.83 CD40 (0.52) CD40CD40LGMEN1KMT2ACA1
SCHEMBL10908064 0.83 CD40 (0.52) CD40CD40LGPTPN11MEN1KMT2A
SCHEMBL11432355 0.82 CD40 (0.63) CD40CD40LGRAB9AMAPTNPC1

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