SCHEMBL9525810

SCHEMBL9525810

CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.47
MEN1 O00255 8/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 11/20 0.46
MAPK1 P28482 9/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.44
HTT P42858 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
MDM2 Q00987 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
OPRK1 P41145 1/20 0.41

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
SCHEMBL9524488 0.84 KDM4E (0.62) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9524479 0.84 KDM4E (0.62) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9524504 0.83 KMT2A (0.55) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL3167850 0.80 KMT2A (0.72) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL420540 0.80 KMT2A (0.72) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9524224 0.79 KMT2A (0.60) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9524221 0.79 KMT2A (0.60) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9525914 0.79 CA1 (0.53) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL9525542 0.76 KMT2A (0.64) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL5463701 0.74 KMT2A (0.48) KMT2AMEN1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP claimed
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP disclosed