SCHEMBL9523990

SCHEMBL9523990

COc1cn2nc(SCc3ccccc3)sc2nc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
CDK2 P24941 1/20 0.47
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
FFAR1 O14842 1/20 0.44
MAPK1 P28482 1/20 0.44
F2RL3 Q96RI0 4/20 0.41
CTSB P07858 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.40
P2RX7 Q99572 3/20 0.40
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
SCHEMBL9521768 0.84 PKM (0.55) POLBPKMCDK2CDK1CCNB1
SCHEMBL9776580 0.82 PKM (0.49) POLBPKMCDK2CDK1CCNB1
SCHEMBL4291136 0.80 CDK2 (0.59) POLBPKMCDK2CDK1CCNB1
SCHEMBL10373443 0.79 NPC1 (0.57) POLBPKMCDK2CDK1CCNB1
SCHEMBL9776504 0.79 POLB (0.46) POLBPKMCDK2CDK1CCNB1
SCHEMBL9532877 0.77 SOAT1 (0.40) F2RL3MAPTALDH1A1HTTKMT2A
SCHEMBL9522776 0.77 P2RX7 (0.42) F2RL3MEN1KMT2AP2RX7
SCHEMBL9523984 0.75 PKM (0.62) POLBPKMCDK2CDK1CCNB1
SCHEMBL9776545 0.75 PKM (0.52) POLBPKMCDK2CDK1CCNB1
SCHEMBL11339038 0.75 TP53 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242690-B1 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) 1993-06-30 EP disclosed
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