SCHEMBL14148669

SCHEMBL14148669

COc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c(N)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.53
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ALOX5 P09917 3/20 0.45
APP P05067 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TEK Q02763 1/20 0.42
SULT1A1 P50225 1/20 0.42
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL14148755 0.80 PTGDR2 (0.60) KDM4EALDH1A1HSD17B10MAPTTP53
SCHEMBL14148648 0.80 PTGDR2 (0.60) KDM4EALDH1A1HSD17B10MAPTTP53
SCHEMBL10120491 0.77 KDM4E (0.61) GUSBKDM4EALDH1A1HSD17B10MAPT
SCHEMBL19626668 0.75 KDM4E (0.48) KDM4EALDH1A1HSD17B10MAPTCYP3A4
SCHEMBL15075737 0.75 KDM4E (0.61) KDM4EALDH1A1HSD17B10MAPTCYP3A4
SCHEMBL14148673 0.74 GUSB (0.47) GUSBKDM4EALDH1A1MAPTTP53
SCHEMBL9829979 0.73 ALOX5 (0.62) KDM4EALDH1A1HSD17B10MAPTTP53
SCHEMBL2092168 0.72 AHR (0.61) GUSBALDH1A1TP53NPC1RAB9A
SCHEMBL19625510 0.71 KDM4E (0.45) KDM4EALDH1A1HSD17B10MAPTCYP3A4
SCHEMBL19650376 0.71 MYC (0.60) KDM4EALDH1A1HSD17B10MAPTTP53

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
WO-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO disclosed