SCHEMBL7532067

SCHEMBL7532067

O=C(Nc1nc2ccccc2s1)c1sccc1NS(=O)(=O)c1ccccc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.58
SENP8 Q96LD8 4/20 0.58
SENP7 Q9BQF6 4/20 0.58
SENP6 Q9GZR1 4/20 0.58
USP2 O75604 3/20 0.52
USP8 P40818 3/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.48
SCD O00767 2/20 0.47
ACLY P53396 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL7533299 0.97 CASP3 (0.61) CASP3SENP8SENP7SENP6USP2
SCHEMBL7530791 0.82 POLB (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7534428 0.80 KMT2A (0.53) MEN1KMT2AALDH1A1MAPK1ACLY
SCHEMBL532975 0.80 ACLY (0.69) MEN1KMT2AALDH1A1ACLY
Hydrochloric Acid SCHEMBL533067 0.78 ACLY (0.68) MEN1KMT2AALDH1A1ACLY
SCHEMBL7531142 0.78 POLB (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7534349 0.76 ACLY (0.53) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL7532807 0.75 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7537224 0.75 ACLY (0.47) MEN1KMT2AALDH1A1ACLY
SCHEMBL617744 0.74 ALDH1A1 (0.72) CASP3SENP8SENP7SENP6RAB9A

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 claimed