SCHEMBL7629313

SCHEMBL7629313

O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.53
SLC10A1 Q14973 1/20 0.53
SLC10A6 Q3KNW5 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGES2 Q9H7Z7 4/20 0.48
GPR27 Q9NS67 4/20 0.47
AVPR2 P30518 1/20 0.47
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.43
SMO Q99835 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7629312 1.00 SLC10A2 (0.53) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A
SCHEMBL6861189 0.81 KMT2A (0.60) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A
SCHEMBL6861188 0.81 KMT2A (0.60) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A
SCHEMBL7120319 0.80 SLC10A6 (0.76) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A
SCHEMBL7209334 0.77 SMO (0.53) ALDH1A1KMT2AMEN1POLBHSD17B10
SCHEMBL7209329 0.77 SMO (0.53) ALDH1A1KMT2AMEN1POLBHSD17B10
SCHEMBL7213156 0.77 SLC10A2 (0.55) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A
SCHEMBL7117439 0.76 SLC10A2 (0.63) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A
SCHEMBL5926665 0.76 CCKAR (0.48) KMT2APTGES2
SCHEMBL7213023 0.76 SLC10A6 (0.73) SLC10A2SLC10A1SLC10A6ALDH1A1KMT2A

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-6458845-B1 METHOD OF ANTAGONIZING A MACROPHAGE SCAVENGER RECEPTOR COMPRISING ADMINISTERING TO A SUBJECT IN NEED OF TREATMENT AN EFFECTIVE AMOUNT OF AN N-PHENYL-2-(3-TRIFLUOROMETHYLPHENYLSULFONAMIDO)BENZAMIDE, A SMITHKLINE BEECHAM CORPORATION 2002-10-01 US claimed