SCHEMBL9776504

SCHEMBL9776504

N#Cc1cn2nc(SCc3ccccc3)sc2nc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
PKM P14618 1/20 0.46
CDK2 P24941 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CTSB P07858 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ACMSD Q8TDX5 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9776580 0.82 PKM (0.49) POLBPKMCDK2CDK1CCNB1
SCHEMBL9521768 0.82 PKM (0.55) POLBPKMCDK2CDK1CCNB1
SCHEMBL9523990 0.79 POLB (0.49) POLBPKMCDK2CDK1CCNB1
SCHEMBL4291136 0.77 CDK2 (0.59) POLBPKMCDK2CDK1CCNB1
SCHEMBL9776497 0.76 PKM (0.60) POLBPKMCDK2CDK1CCNB1
SCHEMBL9776511 0.76 ALDH1A1 (0.41) RXFP1MEN1KMT2AALDH1A1HPGD
SCHEMBL4296060 0.76 CDK2 (0.48) POLBPKMCDK2CDK1CCNB1
SCHEMBL11339038 0.75 TP53 (0.61) POLBPKMCDK2CDK1CCNB1
SCHEMBL9776545 0.75 PKM (0.52) POLBPKMCDK2CDK1CCNB1
SCHEMBL10373443 0.75 NPC1 (0.57) POLBPKMCDK2CDK1CCNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985432-A 5H-1,3,4-thiadiazolo(3,2-A)pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-15 US disclosed
EP-0242690-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-10-28 EP disclosed