SCHEMBL27952255

SCHEMBL27952255

Cn1ccc(N)nc1=O.Cn1ccc(N)nc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.41
LMNA P02545 3/20 0.37
THRB P10828 1/20 0.37
MTOR P42345 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PRKCI P41743 1/20 0.36
PDE3A Q14432 3/20 0.36
CACNA1F O60840 2/20 0.36
ALB P02768 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
CRBN Q96SW2 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL19929 1.00
Iodide SCHEMBL29172953 0.98 PIK3CB (0.40) PIK3CBLMNATHRBMTORMDM2
Hydrochloric Acid SCHEMBL6853659 0.98 PIK3CB (0.40) PIK3CBLMNATHRBMTORMDM2
Phosphoric Acid SCHEMBL7818662 0.90 FGFR1 (0.43) PIK3CBLMNATHRBMTORMDM2
Sulfurous Acid SCHEMBL5695173 0.90 LMNA (0.36) PIK3CBLMNATHRBMTORMDM2
Phosphoric Acid SCHEMBL28113088 0.90 FGFR1 (0.43) PIK3CBLMNATHRBMTORMDM2
Cytosine SCHEMBL1673111 0.84 BRD4 (0.40) PIK3CBLMNATHRBMTORMDM2
SCHEMBL28823314 0.79 KDM4E (0.32) CRBNBRD4TAF1BRPF1CREBBP
SCHEMBL23128404 0.77
SCHEMBL4661802 0.77 ADORA2A (0.65) LMNAPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104397053-B Preparation method for botanical pesticide for specially killing cabbage caterpillars during organic vegetable planting 浙江恒泽生态农业科技有限公司 2017-02-22 CN disclosed
CN-103548895-B Botanical vegetable insecticide LAI GUANGYE 2015-04-15 CN disclosed
CN-104397053-A Preparation method for botanical pesticide for specially killing cabbage caterpillars during organic vegetable planting ZHEJIANG HENGZE ECOLOGICAL AGRICULTURAL SCIENCE AND TECHNOLOGY LTD COMPANY 2015-03-11 CN disclosed
CN-103548895-A Botanical vegetable insecticide LAI GUANGYE 2014-02-05 CN disclosed