SCHEMBL9738657

SCHEMBL9738657

CONC(N)=Nc1nc(OC)nc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 4/20 0.39
CRHR2 Q13324 4/20 0.39
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AHR P35869 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 2/20 0.31
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9738049 0.90 CRHBP (0.38) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL10529036 0.82 HTT (0.39) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL9621901 0.78 CRHBP (0.43) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL9621906 0.78 CRHBP (0.43) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL9621983 0.76 CRHBP (0.59) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL9621981 0.76 CRHBP (0.59) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL10638215 0.75 ADRA2A (0.40) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL9738814 0.73 NOS3 (0.35) CRHBPCRHR2
SCHEMBL9621876 0.73 CRHBP (0.52) CRHBPCRHR2KMT2ALMNAL3MBTL1
SCHEMBL9621874 0.73 CRHBP (0.52) CRHBPCRHR2KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086177-A Chemical intermediate for herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4980469-A Reacting isothiourea of nitrogen containing heterocycle with hydroxylamine derivative BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0217038-B1 Benzo-[b]-1,4,5,7-dithiadiazepine-1,1,4,4-tetroxide derivatives BAYER AG (DE) 1989-06-07 EP disclosed
US-4820337-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
US-4726834-A PRE- AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
EP-0217038-A1 Benzo-[b]-1,4,5,7-dithiadiazepine-1,1,4,4-tetroxide derivatives BAYER AG (DE) 1987-04-08 EP disclosed
EP-0213378-A1 1-(2-Oxyaminosulfonylphenylsulfonyl)-3-triazinyl ureas BAYER AG (DE) 1987-03-11 EP disclosed