SCHEMBL11042883

SCHEMBL11042883

O=C(O)C(=O)Nc1nc(-c2cccs2)cs1.O=C(O)C(=O)Nc1nc(-c2cccs2)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.72
MAPK1 P28482 5/20 0.72
KDM4E B2RXH2 4/20 0.72
HSD17B10 Q99714 3/20 0.72
MEN1 O00255 11/20 0.66
KMT2A Q03164 11/20 0.66
LMNA P02545 8/20 0.66
TP53 P04637 3/20 0.66
MAPT P10636 11/20 0.62
HTT P42858 4/20 0.62
F2 P00734 3/20 0.62
TSHR P16473 6/20 0.62
USP2 O75604 2/20 0.62
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALOX15 P16050 2/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL11038508 1.00 NPC1 (0.72) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL13842694 0.84 NPC1 (1.00) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL11136424 0.80 MAPT (0.68) NPC1MAPK1HSD17B10MEN1KMT2A
SCHEMBL19122688 0.80 NPC1 (0.68) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL13015638 0.80 NPC1 (0.72) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL5458121 0.78 NPC1 (0.65) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL21484844 0.77 MEN1 (0.66) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL11038506 0.77 CSNK2A1 (0.60) NPC1MAPK1HSD17B10MEN1KMT2A
SCHEMBL16434443 0.76 NPC1 (0.62) NPC1MAPK1KDM4EHSD17B10MEN1
SCHEMBL25474816 0.76 NPC1 (0.58) NPC1MAPK1KDM4EHSD17B10MEN1

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
EP-0052564-B1 DERIVATIVES OF 2-THIAZOLYL-OXAMIC ACID SUBSTITUTED IN POSITION 4 BY A THIENYL OR FURYL RADICAL, THEIR PREPARATION AND USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE S.A. (FR) 1984-10-17 EP claimed