SCHEMBL7533299

SCHEMBL7533299

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.61
SENP8 Q96LD8 4/20 0.61
SENP7 Q9BQF6 4/20 0.61
SENP6 Q9GZR1 4/20 0.61
USP2 O75604 3/20 0.55
USP8 P40818 3/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.51
SCD O00767 2/20 0.50
PKM P14618 1/20 0.48
DYRK1A Q13627 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
SCHEMBL7532067 0.97 CASP3 (0.58) CASP3SENP8SENP7SENP6USP2
SCHEMBL7531142 0.81 POLB (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7530791 0.78 POLB (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7532807 0.77 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL617744 0.77 ALDH1A1 (0.72) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL3052447 0.77 CASP3 (0.73) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL7534428 0.76 KMT2A (0.53) MEN1KMT2AALDH1A1MAPK1
SCHEMBL7531704 0.76 ALDH1A1 (0.57) USP2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7569455 0.75 KDM4E (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7531707 0.75 RECQL (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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