SCHEMBL14058895

SCHEMBL14058895

O=C(Nc1cccc2cccc(S(=O)(=O)O)c12)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.56
CD40LG P29965 3/20 0.56
ACHE P22303 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TTR P02766 1/20 0.48
FABP4 P15090 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK14 Q16539 1/20 0.48
NR4A1 P22736 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL6242038 0.85 CD40 (0.61) CD40CD40LGMEN1KMT2AALDH1A1
SCHEMBL14149590 0.78 TRPV1 (0.53) ACHEMAOBMEN1KMT2AALDH1A1
SCHEMBL19020654 0.78 CD40 (0.69) CD40CD40LGMEN1KMT2AALDH1A1
SCHEMBL11511725 0.77 CD40 (0.69) CD40CD40LGMEN1KMT2AALDH1A1
SCHEMBL19020634 0.74 CD40 (0.77) CD40CD40LGMEN1KMT2ATTR
SCHEMBL19021224 0.74 CD40 (0.92) CD40CD40LGACHEMEN1KMT2A
SCHEMBL11759224 0.74 TTR (0.59) CD40CD40LGALDH1A1TTRFABP4
SCHEMBL11466232 0.73 TTR (0.52) CD40CD40LGMEN1KMT2ATTR
SCHEMBL14059013 0.72 TRPV1 (0.58) ACHEMAOBMEN1KMT2AALDH1A1
SCHEMBL19020632 0.72 CD40 (1.00) CD40CD40LGMEN1KMT2AALDH1A1

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
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed