SCHEMBL9530463

SCHEMBL9530463

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.33
G6PD P11413 1/20 0.33
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
GPR84 Q9NQS5 8/20 0.31
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SCN9A Q15858 2/20 0.30
SCN5A Q14524 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 0.85 RAB9A (0.39) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532772 0.85 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9530452 0.83 NPC1 (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532763 0.79 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532670 0.79 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9533403 0.78 TXNRD1 (0.41) MAPTALDH1A1GSRTXNRD1SOAT1
SCHEMBL9534269 0.73 RAB9A (0.43) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9531244 0.72 NPC1 (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9531118 0.72 NPC1 (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532173 0.72 RAB9A (0.42) NPC1MAPTRAB9ASMN1; 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