SCHEMBL9309033

SCHEMBL9309033

Cc1c(C#N)cnn1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
AR P10275 2/20 0.35
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL9310110 0.84 GABRB3 (0.48) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10682964 0.83 MAPK1 (0.42) MAPK1RXRARXRBRXRGCDK4
SCHEMBL7961959 0.81 KMT2A (0.49) MAPK1RXRARXRBRXRGCDK4
SCHEMBL10617384 0.78 KMT2A (0.49) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9526672 0.78 MAPK1 (0.42) MAPK1RXRARXRBRXRGCDK4
SCHEMBL10739344 0.78 MAPK1 (0.39) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9309697 0.77 MAPK1 (0.40) MAPK1RXRARXRBRXRGCDK4
SCHEMBL9309547 0.77 MAPK1 (0.38) MAPK1RXRARXRBRXRGCDK4
Methane SCHEMBL10739351 0.76 MAPK1 (0.37) MAPK1RXRARXRBRXRGCDK4
SCHEMBL11091434 0.75 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