SCHEMBL7532022

SCHEMBL7532022

O=C(Nc1ccc2c(c1)OCO2)c1sccc1NS(=O)(=O)c1ccccc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
MAPT P10636 7/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
EDNRB P24530 1/20 0.50
EDNRA P25101 1/20 0.50
EGFR P00533 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ACLY P53396 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
SCHEMBL7534349 0.83 ACLY (0.53) HPGDMAPTRAB9AMEN1KMT2A
SCHEMBL7535073 0.81 MAPT (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7538859 0.81 ACLY (0.53) MEN1KMT2AACLYNPSR1
SCHEMBL7534407 0.79 LMNA (0.56) HPGDMAPTNPC1RAB9AMEN1
SCHEMBL7537381 0.79 ALDH1A1 (0.53) HPGDMAPTHSD17B10MEN1KMT2A
SCHEMBL7537030 0.78 MAPT (0.53) HPGDMAPTNPC1RAB9AMEN1
SCHEMBL7537204 0.78 MAPT (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL532975 0.78 ACLY (0.69) HPGDHSD17B10MEN1KMT2AALDH1A1
SCHEMBL27180046 0.78 RAB9A (0.72) HPGDMAPTHSD17B10NPC1RAB9A
SCHEMBL7532668 0.78 LMNA (0.57) MAPTNPC1RAB9AMEN1KMT2A

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed