SCHEMBL29944870

SCHEMBL29944870

CCOC(=O)c1cccc(NC(=O)c2scc(C)c2S(=O)(=O)Nc2ccc(OCC)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
NR1H3 Q13133 4/20 0.55
SREBF1 P36956 4/20 0.55
NR1H2 P55055 3/20 0.55
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 3/20 0.49
PKM P14618 1/20 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
SCHEMBL27245391 1.00 MEN1 (0.58) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL27030462 0.92 NPC1 (0.56) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29944956 0.78 NR1H3 (0.63) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL27245384 0.78 NR1H3 (0.63) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29944893 0.76 NR1H3 (0.64) SMN1; SMN2MAPTNPC1RAB9ANR1H3
SCHEMBL27245351 0.76 NR1H3 (0.64) SMN1; SMN2MAPTNPC1RAB9ANR1H3
SCHEMBL4128090 0.75 MAPT (1.00) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL27030601 0.74 SREBF1 (0.89) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29944864 0.73 SREBF1 (0.72) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL27245342 0.73 SREBF1 (0.72) MEN1KMT2ASMN1; SMN2MAPTNPC1

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
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
WO-2022197658-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-22 WO disclosed