SCHEMBL6168006

SCHEMBL6168006

Cc1nc(-c2cccs2)sc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.57
ALDH1A1 P00352 6/20 0.55
GAA P10253 2/20 0.52
RAB9A P51151 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 2/20 0.45
DPP4 P27487 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HSD17B10 Q99714 2/20 0.40
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL10091957 0.78 KDM4E (0.61) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL288142 0.77 KDM4E (0.54) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL4167341 0.77 KDM4E (0.53) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL1960860 0.75 SMN1; SMN2 (0.56) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL27016991 0.75 KDM4E (0.58) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL288141 0.73 KDM4E (0.78) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL3418775 0.73 KDM4E (1.00) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL18873086 0.72 KDM4E (0.51) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL3059795 0.72 KDM4E (0.76) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL12641921 0.71 RAB9A (0.54) KDM4EALDH1A1GAARAB9ANPC1

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-1513837-A1 THIAZOLE DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2005-03-16 EP claimed
WO-2004000839-A1 THIAZOLE DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-12-31 WO claimed