SCHEMBL11511725

SCHEMBL11511725

O=C(Nc1cccc2cccc(S(=O)(=O)O)c12)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 2/20 0.69
CD40LG P29965 2/20 0.69
RAB9A P51151 4/20 0.58
KDR P35968 1/20 0.58
NPC1 O15118 3/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CASP3 P42574 1/20 0.53
ALOX5 P09917 1/20 0.52
BLM P54132 1/20 0.51
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51

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
SCHEMBL11439477 0.89 CD40 (0.56) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11431874 0.89 CD40 (0.56) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11439166 0.89 CD40 (0.58) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11762076 0.85 KMT2A (0.60) CD40CD40LGRAB9AKDRNPC1
SCHEMBL19021224 0.85 CD40 (0.92) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11425328 0.84 RAB9A (0.61) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11437141 0.84 RAB9A (0.61) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11422168 0.84 RAB9A (0.55) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11430290 0.83 KMT2A (0.63) CD40CD40LGRAB9AKDRNPC1
SCHEMBL11473094 0.83 APEX1 (0.54) CD40CD40LGRAB9AKDRNPC1

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-4180587-A Ureylene phenylene anionic naphthalenesulfonic acids as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1979-12-25 US disclosed