SCHEMBL9531029

SCHEMBL9531029

CCCCCCSc1nn2c(=O)c(C(C)=O)cnc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM6B O15054 3/20 0.44
KDM4A O75164 3/20 0.44
KDM4D Q6B0I6 3/20 0.44
KDM3B Q7LBC6 3/20 0.44
HIF1AN Q9NWT6 3/20 0.44
KDM5B Q9UGL1 3/20 0.44
KDM2A Q9Y2K7 3/20 0.44
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
GPR84 Q9NQS5 6/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL9534195 1.00 ALDH1A1 (0.44) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9532541 0.83 MAPT (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9530746 0.81 HTT (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9532867 0.81 MAPT (0.44) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9536679 0.80 MAPT (0.43) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10693329 0.79 MAPT (0.42) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9531971 0.78 GPR84 (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9533481 0.77 MAPT (0.41) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9534199 0.75 GPR84 (0.38) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9531038 0.75 GPR84 (0.38) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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