SCHEMBL9532772

SCHEMBL9532772

CCCCCCSc1nn2c(Cl)c([N+](=O)[O-])c(=O)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.34
GPR84 Q9NQS5 9/20 0.32
KDM4E B2RXH2 1/20 0.31
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL9532676 0.87 RAB9A (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9530463 0.85 NPC1 (0.38) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9532763 0.85 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9534269 0.84 RAB9A (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9531118 0.83 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9532670 0.80 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9530452 0.79 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9535538 0.77 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9776611 0.76 PKM (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9534264 0.75 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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-0238059-B1 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-16 EP disclosed
US-4971971-A FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-20 US disclosed
US-4866064-A AGRICULTURE HORTICULTURE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-09-12 US disclosed
EP-0282635-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0238059-A2 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-23 EP disclosed