SCHEMBL2048460

SCHEMBL2048460

O=CC(c1ccncc1)c1ccc(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
LMNA P02545 2/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
STAT3 P40763 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2045569 0.78 MEN1 (0.31) GABBR2GABBR1ALDH1A1
SCHEMBL14835351 0.74 ACP3 (0.36) GABBR2GABBR1
SCHEMBL27894259 0.73 LMNA (0.37) CYP19A1GABBR2GABBR1LMNATSHR
SCHEMBL5184111 0.73 CYP19A1 (0.61) CYP19A1MAPK1HSD17B10ALDH1A1
SCHEMBL2041866 0.72 MAPK9 (0.35) GABBR2GABBR1ALDH1A1
SCHEMBL6501611 0.70 CYP19A1 (0.42) CYP19A1MAPK1ALDH1A1
SCHEMBL7980898 0.69 GABBR2 (0.31) GABBR2GABBR1
SCHEMBL7067216 0.69 GABBR2 (0.40) GABBR2GABBR1TSHRALDH1A1
SCHEMBL1515763 0.69 SLC6A3 (0.58) LMNAHSD17B10ALDH1A1
SCHEMBL3398965 0.68 CYP19A1 (0.39) CYP19A1LMNATSHRMAPK1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO disclosed