SCHEMBL10693329

SCHEMBL10693329

CCCCCCSc1nn2c(=O)c([N+](=O)[O-])cnc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.37
KDM6B O15054 2/20 0.35
KDM4A O75164 2/20 0.35
KDM4D Q6B0I6 2/20 0.35
KDM3B Q7LBC6 2/20 0.35
HIF1AN Q9NWT6 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
PKM P14618 4/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9532541 0.81 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9530746 0.79 HTT (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532867 0.79 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9531029 0.79 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9534195 0.79 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9536679 0.78 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532763 0.78 NPC1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9532670 0.78 NPC1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9530452 0.76 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9531971 0.76 GPR84 (0.46) MAPTNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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