SCHEMBL7533552

SCHEMBL7533552

CCOC(=O)c1cccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.57
NR1H2 P55055 3/20 0.57
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
SREBF1 P36956 4/20 0.53
RAB9A P51151 5/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
NPC1 O15118 4/20 0.52
MAPT P10636 4/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 4/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 2/20 0.49

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
SCHEMBL7533940 0.90 RAB9A (0.56) SMN1; SMN2LMNASREBF1RAB9APOLB
SCHEMBL7537211 0.87 KMT2A (0.55) POLBPKMALDH1A1KMT2ACASP3
SCHEMBL7537015 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNARAB9ANPC1MAPT
SCHEMBL27245351 0.84 NR1H3 (0.64) NR1H3NR1H2HSD17B10MAPK1SMN1; SMN2
SCHEMBL29944893 0.84 NR1H3 (0.64) NR1H3NR1H2HSD17B10MAPK1SMN1; SMN2
SCHEMBL1726857 0.81 LMNA (0.76) SMN1; SMN2LMNARAB9APOLBPKM
SCHEMBL7569195 0.80 MEN1 (0.49) LMNATSHRALDH1A1KMT2ACASP3
SCHEMBL30300538 0.80 MAPK1 (0.69) NR1H3NR1H2HSD17B10MAPK1SMN1; SMN2
SCHEMBL7532757 0.80 TSHR (0.65) HSD17B10MAPK1SMN1; SMN2LMNANPC1
SCHEMBL7533623 0.79 ACLY (0.55) MAPK1SMN1; SMN2LMNARAB9ANPC1

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