SCHEMBL4451331

SCHEMBL4451331

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CNR2 P34972 12/20 0.50
CNR1 P21554 8/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
RPA1 P27694 1/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL2873006 0.84 CNR2 (0.61) CNR2CNR1
SCHEMBL4451297 0.84 LMNA (0.48) LMNACNR2CNR1KDM4EMEN1
SCHEMBL4453509 0.84 LMNA (0.48) LMNACNR2CNR1KDM4EMEN1
SCHEMBL13955259 0.84 LMNA (0.67) LMNACNR2CNR1RPA1NOTUM
Hydrochloric Acid SCHEMBL9160043 0.83 CNR2 (0.60) CNR2CNR1
SCHEMBL4451548 0.83 CNR2 (0.57) CNR2CNR1
SCHEMBL1983424 0.83 CNR2 (0.61) CNR2CNR1
SCHEMBL6428002 0.81 CNR2 (0.48) LMNACNR2CNR1
SCHEMBL2873286 0.80 CNR1 (0.70) CNR2CNR1
SCHEMBL1983937 0.80 CNR2 (0.51) LMNACNR2CNR1

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