SCHEMBL11693259

SCHEMBL11693259

O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)c2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6ccc(N=Nc7c(O)ccc8ccccc78)cc6c5O)cc4)cc3)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ DNASE1L3 Q13609 1/20 0.60
▸ PRMT1 Q99873 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PTPRA P18433 1/20 0.54
▸ PTPRB P23467 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ PHLPP2 Q6ZVD8 2/20 0.54
▸ ENPP2 Q13822 4/20 0.51
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL31525848 0.85 CYP1A2 (0.67) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL11763437 0.85 CYP1A2 (0.67) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL14418371 0.85 CYP1A2 (0.67) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL11876652 0.82 ENPP2 (0.60) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL29594466 0.79 CYP1A2 (0.52) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL11877643 0.78 MAPT (0.66) CYP1A2MAPK1CYP2C9KMT2AMAPT
SCHEMBL11877650 0.78 MAPT (0.66) CYP1A2MAPK1CYP2C9KMT2AMAPT
SCHEMBL23787793 0.77 ENPP2 (0.56) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL144505 0.76 MAPT (0.78) CYP1A2MAPK1CYP2C9KMT2AMAPT
SCHEMBL144503 0.76 MAPT (0.78) CYP1A2MAPK1CYP2C9KMT2AMAPT

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-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 — — US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 — — US disclosed
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