SCHEMBL19256889

SCHEMBL19256889

CCOc1nc(C)c(O)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL257133 0.78 NOS1 (0.39) PTGS1PTGS2KDM4EMAPK1HSD17B10
SCHEMBL19256884 0.78 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL19256892 0.73 ALDH1A1 (0.30) SMN1; SMN2ALDH1A1
SCHEMBL9957284 0.72 ALDH1A1 (0.39) KDM4EHSD17B10SMN1; SMN2MAPTALDH1A1
SCHEMBL19256887 0.71
SCHEMBL10435591 0.71 ALDH1A1 (0.35) KDM4EMAPK1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL27449111 0.67
SCHEMBL11690038 0.66 ALDH1A1 (0.35) PTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL13700990 0.64
SCHEMBL5154036 0.64

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
US-9730449-B2 Thiazole compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed