SCHEMBL9521620

SCHEMBL9521620

N#Cc1cc(=O)nc2sc(S(=O)(=O)Cc3ccccc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 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
SCHEMBL9776603 0.89 LMNA (0.38) ALDH1A1MAPTHSD17B10LMNATSHR
SCHEMBL9522297 0.82 HSD17B10 (0.40) ALDH1A1MAPTHSD17B10LMNATSHR
SCHEMBL9525129 0.82 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10CA12CA1
SCHEMBL9776505 0.77 ALDH1A1 (0.40) ALDH1A1MAPTLMNAL3MBTL1CYP2C19
SCHEMBL9525566 0.76 PKM (0.52) ALDH1A1MAPTHSD17B10LMNATSHR
SCHEMBL9522650 0.75 CA12 (0.42) ALDH1A1MAPTHSD17B10LMNACA12
SCHEMBL9776596 0.75 CA12 (0.40) ALDH1A1MAPTHSD17B10LMNACA12
SCHEMBL9522502 0.73 MEN1 (0.40) ALDH1A1MAPTHSD17B10LMNATSHR
SCHEMBL9776511 0.73 ALDH1A1 (0.41) ALDH1A1MAPTLMNACA12CA1
SCHEMBL9521955 0.72 LOX (0.38) ALDH1A1MAPTHSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242690-B1 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP claimed
EP-0242690-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-10-28 EP claimed
EP-0242690-B1 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4985432-A 5H-1,3,4-thiadiazolo(3,2-A)pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-15 US disclosed
EP-0242690-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-10-28 EP disclosed