SCHEMBL4451297

SCHEMBL4451297

CCc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CNR2 P34972 11/20 0.47
CNR1 P21554 10/20 0.47
RPA1 P27694 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4451331 0.84 LMNA (0.61) LMNACNR2CNR1RPA1KDM4E
SCHEMBL4453509 0.81 LMNA (0.48) LMNACNR2CNR1RPA1KDM4E
SCHEMBL2873006 0.81 CNR2 (0.61) CNR2CNR1
Hydrochloric Acid SCHEMBL9160043 0.80 CNR2 (0.60) CNR2CNR1
SCHEMBL4451548 0.80 CNR2 (0.57) CNR2CNR1
SCHEMBL2873286 0.77 CNR1 (0.70) CNR2CNR1
SCHEMBL1983424 0.77 CNR2 (0.61) CNR2CNR1
SCHEMBL1986649 0.77 CNR1 (0.70) CNR2CNR1
SCHEMBL1989163 0.77 CNR2 (0.47) LMNACNR2CNR1
Hydrochloric Acid SCHEMBL6543063 0.77 CNR1 (0.69) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563749-B2 cyclic dioxazine substituted pyridyl sulfonylurea derivatives and a plant safener such as dymron, fenclorim, mefenpyr-diethyl, cloquintocet-mexyl etc. for the selective control of unwanted vegetation in leguminous plants BAYER CROPSCIENCE AG (DE) 2009-07-21 US disclosed