SCHEMBL14148648

SCHEMBL14148648

COc1ccc(-c2nc(-c3ccccc3)c(N)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.60
ADORA2A P29274 3/20 0.58
ADORA1 P30542 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
ALOX5 P09917 1/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.50
DPP4 P27487 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.48

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 1.00 PTGDR2 (0.60) PTGDR2ADORA2AADORA1ADORA3ALOX5
SCHEMBL14148594 0.85 RAB9A (0.58) PTGDR2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL543631 0.85 ALDH1A1 (0.50) PTGDR2ADORA2AADORA1ADORA3KDM4E
SCHEMBL11452752 0.84 ALOX5 (0.73) PTGDR2ADORA2AADORA1ADORA3ALOX5
SCHEMBL11274476 0.84 ALOX5 (0.73) PTGDR2ADORA2AADORA1ADORA3ALOX5
SCHEMBL11652829 0.83 ALOX5 (0.54) PTGDR2ADORA2AADORA1ADORA3ALOX5
SCHEMBL14148747 0.81 ADORA1 (0.59) PTGDR2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL14148669 0.80 GUSB (0.53) PTGDR2ADORA2AADORA1ADORA3ALOX5
SCHEMBL14148757 0.80 PTGDR2 (0.57) PTGDR2ADORA2AADORA1ALOX5KDM4E
SCHEMBL14148598 0.80 KDM4E (0.57) PTGDR2ADORA2AADORA1ADORA3KDM4E

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