SCHEMBL9309547

SCHEMBL9309547

N#Cc1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL9311162 0.85 GABRB3 (0.43) KDM4E
SCHEMBL10682964 0.80 MAPK1 (0.42) MAPK1RXRARXRBRXRGKDM4E
Bromide SCHEMBL9309729 0.78 RXRA (0.34) MAPK1RXRARXRBRXRGKDM4E
SCHEMBL7961959 0.77 KMT2A (0.49) MAPK1RXRARXRBRXRGKDM4E
SCHEMBL9309033 0.77 MAPK1 (0.54) MAPK1RXRARXRBRXRGKDM4E
SCHEMBL10739344 0.74 MAPK1 (0.39) MAPK1RXRARXRBRXRGKDM4E
SCHEMBL9309697 0.73 MAPK1 (0.40) MAPK1RXRARXRBRXRGKDM4E
Methane SCHEMBL10739351 0.72 MAPK1 (0.37) MAPK1RXRARXRBRXRGKDM4E
SCHEMBL9526672 0.71 MAPK1 (0.42) MAPK1RXRARXRBRXRGKDM4E
SCHEMBL11283693 0.71 KMT2A (0.43) MAPK1RXRARXRBRXRGKDM4E

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-5321002-A Herbicidal derivatives of 2-(1-aryl-4-cyano-5-pyrazolylmethyleneiminooxy)alkanoic acids FMC CORPORATION (US) 1994-06-14 US disclosed