SCHEMBL4607900

SCHEMBL4607900

CC1(O)OC(=O)C(c2cccs2)=C1c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.57
PTGS1 P23219 2/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALOX15 P16050 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4582842 0.81 PTGS2 (0.39) PTGS2PTGS1HCAR3HCAR2
SCHEMBL2454166 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL4582564 0.80 PTGS2 (0.43) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4583198 0.78 PTGS2 (0.52) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL4591894 0.78 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL4583119 0.78 PTGS2 (0.39) PTGS2PTGS1MAPTKMT2AMEN1
SCHEMBL4582575 0.77 PTGS2 (0.51) PTGS2PTGS1MAPTLMNAKDM4E
SCHEMBL4582869 0.77 PTGS2 (0.41) PTGS2PTGS1HCAR3HCAR2
SCHEMBL15626309 0.77 PTGS2 (0.41) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4583249 0.76 PTGS2 (0.40) PTGS2PTGS1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed