SCHEMBL11038522

SCHEMBL11038522

O=C(O)C(=O)Nc1nc(-c2ccco2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.71
KMT2A Q03164 11/20 0.71
RAB9A P51151 8/20 0.71
MAPT P10636 8/20 0.71
NPC1 O15118 7/20 0.71
ALDH1A1 P00352 7/20 0.71
HSD17B10 Q99714 3/20 0.71
TSHR P16473 2/20 0.71
PKM P14618 1/20 0.71
ALOX15 P16050 1/20 0.71
POLB P06746 5/20 0.51
MCL1 Q07820 3/20 0.51
CLK1 P49759 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 2/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL11136424 0.79 MAPT (0.68) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL10544279 0.78 MEN1 (0.61) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL10519545 0.77 MAPT (0.44) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL11038508 0.75 NPC1 (0.72) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL11042883 0.75 NPC1 (0.72) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL22761299 0.75 MAPT (0.64) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL13955047 0.75 MAPT (0.59) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL10520554 0.75 RAB9A (0.49) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL24101694 0.75 MEN1 (0.57) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL9832616 0.75 MEN1 (0.63) MEN1KMT2ARAB9AMAPTNPC1

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