SCHEMBL14148673

SCHEMBL14148673

COc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c(NC(C)(C)CC(C)(C)C)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.47
CREBBP Q92793 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.40
MAPT P10636 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 2/20 0.37
NR1I3 Q14994 1/20 0.37
BRAF P15056 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PRMT1 Q99873 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14148671 0.84 PTGDR2 (0.52) CREBBPPTGDR2MAPTLMNAALOX5
SCHEMBL14148669 0.74 GUSB (0.53) GUSBPTGDR2MAPTTP53ALOX5
SCHEMBL14148610 0.71 PTGDR2 (0.48) PTGDR2MAPTLMNATP53ALOX5
SCHEMBL14148743 0.65 ALDH1A1 (0.50) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL14148618 0.65 PTGS2 (0.42) PTGDR2MAPTLMNATP53KDM4E
SCHEMBL14148619 0.65 ADORA2A (0.42) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL2092168 0.64 AHR (0.61) GUSBDYRK1ATP53NPC1ALDH1A1
SCHEMBL10120491 0.63 KDM4E (0.61) GUSBMAPTLMNATP53KDM4E
SCHEMBL23456289 0.63 GAA (0.48) CREBBPMAPTKDM4ENPC1ALDH1A1
SCHEMBL11275235 0.62 ALOX5 (0.74) PTGDR2MAPTLMNAALOX5KDM4E

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