SCHEMBL9530452

SCHEMBL9530452

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.36
G6PD P11413 1/20 0.33
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GPR84 Q9NQS5 5/20 0.31

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
SCHEMBL9532670 0.85 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9532763 0.85 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9530463 0.83 NPC1 (0.38) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9532772 0.79 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9532676 0.79 RAB9A (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9776568 0.78 PKM (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10693329 0.76 MAPT (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9532867 0.73 MAPT (0.44) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9534264 0.73 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9531238 0.72 NPC1 (0.47) 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 6 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
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 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