SCHEMBL11072976

SCHEMBL11072976

CSc1nc(=O)c(C2CCCCC2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ RAPGEF4 Q8WZA2 6/20 0.32
▸ JAK2 O60674 3/20 0.32
▸ JAK1 P23458 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 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
SCHEMBL13219743 0.69 L3MBTL1 (0.49) RAPGEF4DAOHTTALDH1A1
SCHEMBL10854391 0.67 L3MBTL1 (0.41) HTTALDH1A1
SCHEMBL19655893 0.66 CSNK2A2 (0.33) HTTALDH1A1
SCHEMBL11066997 0.62 MAPT (0.36) ALDH1A1POLB
SCHEMBL13455320 0.62 PDE5A (0.41) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL4020027 0.61 HTR2A (0.33) HTT
SCHEMBL21306241 0.60 ALDH1A1 (0.41) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL5763194 0.60 PDE5A (0.39) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL7307418 0.60 HRH2 (0.37) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6958865 0.60 L3MBTL1 (0.37) SMN1; SMN2ALDH1A1LMNAADORA2AADORA2B

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-0044696-B1 5-OXO-2,5,-DIHYDRO-1,2,4-TRIAZINES, METHODS FOR THEIR PRODUCTION, HERBICIDAL COMPOSITIONS COMPRISING THEM, AND THEIR USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-17 — — EP disclosed
US-4451283-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-29 — — US disclosed
EP-0044696-A2 5-Oxo-2,5,-dihydro-1,2,4-triazines, methods for their production, herbicidal compositions comprising them, and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-27 — — EP disclosed
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