SCHEMBL8069598

SCHEMBL8069598

COc1cc(OC)nc(C(=O)n2ccnc2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL9133518 0.75 CYP1A2 (0.34) CYP1A2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9208213 0.74 CYP24A1 (0.37) CYP1A2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8534486 0.72 CYP24A1 (0.34) CYP1A2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1785259 0.72 NNMT (0.53) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9208200 0.71 CYP24A1 (0.37) CYP1A2ALDH1A1
SCHEMBL9132228 0.71 HCRTR1 (0.35) CYP1A2LMNASMN1; SMN2KMT2AAHR
SCHEMBL4815855 0.71 KDM4E (0.53) CYP1A2ALDH1A1KDM4EMAPTCYP11B1
SCHEMBL8534480 0.70 CYP24A1 (0.33) CYP1A2ALDH1A1
SCHEMBL11110140 0.70 CYP19A1 (0.55) CYP1A2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10181023 0.69 CYP1A2 (0.53) CYP1A2LMNASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592680-B1 N-sulfonated carboxamide derivatives as fungicides for plants KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
US-5536837-A PLANT FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-07-16 US disclosed
US-5478799-A Herbicide for weeds and fungicide for crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-12-26 US disclosed
US-5444060-A Applying to control pathogenic fungi KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-08-22 US disclosed
EP-0592680-A1 N-SULFONYLATED, SIX-MEMBERED NITROGENOUS AROMATIC CARBOXAMIDE DERIVATIVE OR SALT THEREOF, PRODUCTION THEREOF, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-04-20 EP disclosed