SCHEMBL4753022

SCHEMBL4753022

COC(=O)c1ccsc1NC(=O)CSc1cccc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPK8 P45983 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL4751819 0.86 NPC1 (0.56) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL4752214 0.86 L3MBTL1 (0.66) KDM4EL3MBTL1MEN1KMT2AMAPK1
SCHEMBL4749674 0.84 NPSR1 (0.67) TDP1MEN1KMT2AMAPTMAPK8
SCHEMBL4751921 0.80 L3MBTL1 (0.54) KDM4EL3MBTL1MEN1KMT2ANPC1
SCHEMBL4751453 0.80 L3MBTL1 (0.64) KDM4EL3MBTL1MEN1KMT2AMAPK1
SCHEMBL4752199 0.79 SMN1; SMN2 (0.51) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL4753019 0.79 ALDH1A1 (0.53) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL7461318 0.78 L3MBTL1 (0.58) KDM4EL3MBTL1MEN1KMT2AMAPT
SCHEMBL14743322 0.77 NPC1 (0.67) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4752222 0.77 SMN1; SMN2 (0.56) KDM4ETDP1L3MBTL1MEN1KMT2A

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-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed