SCHEMBL9309697

SCHEMBL9309697

N#Cc1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GPR35 Q9HC97 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CDK2 P24941 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
XDH P47989 1/20 0.31
MAPT P10636 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL9309779 0.85 GABRB3 (0.44) KDM4ESMN1; SMN2
SCHEMBL10682964 0.80 MAPK1 (0.42) MAPK1RXRARXRBRXRGCDK4
SCHEMBL7961959 0.77 KMT2A (0.49) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9309033 0.77 MAPK1 (0.54) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9526672 0.74 MAPK1 (0.42) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9309547 0.73 MAPK1 (0.38) MAPK1RXRARXRBRXRGCDK4
Methane SCHEMBL10739351 0.72 MAPK1 (0.37) MAPK1RXRARXRBRXRGCDK4
SCHEMBL10739344 0.71 MAPK1 (0.39) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9311365 0.71 ALDH1A1 (0.47) KDM4EL3MBTL1KMT2ASMN1; SMN2NPSR1
SCHEMBL11091434 0.71 MAPK1 (0.48) MAPK1RXRARXRBRXRGCDK4

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