SCHEMBL7445978

SCHEMBL7445978

O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N(Br)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.58
RXFP1 Q9HBX9 6/20 0.56
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
PTGS1 P23219 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KAT6A Q92794 1/20 0.49
ALB P02768 1/20 0.48

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
SCHEMBL7453404 0.90 RORC (0.56) APEX1RXFP1GAAALDH1A1PTGS1
SCHEMBL7458372 0.89 APEX1 (0.61) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL7452329 0.82 APEX1 (0.59) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL7445967 0.77 MEN1 (0.64) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL7450804 0.76 MEN1 (0.76) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL7454070 0.76 APEX1 (0.59) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL7458365 0.75 MEN1 (0.64) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL7452313 0.75 MEN1 (0.64) APEX1RXFP1MEN1KMT2AGAA
SCHEMBL6352305 0.75 SIRT2 (0.60) ALDH1A1PPARGPPARDPPARANPC1
SCHEMBL7449698 0.74 APEX1 (0.66) APEX1MEN1KMT2APKMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001098274-A2 SULPHONAMIDE DERIVATIVES CELLTECH CHIROSCIENCE LIMITED (GB) 2001-12-27 WO claimed
WO-2001098274-A2 SULPHONAMIDE DERIVATIVES CELLTECH CHIROSCIENCE LIMITED (GB) 2001-12-27 WO disclosed