SCHEMBL9526187

SCHEMBL9526187

CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.57
KMT2A Q03164 10/20 0.56
MEN1 O00255 8/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL9524221 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL9524224 0.87 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL9524475 0.86 AMY1A (0.60) AMY1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9727197 0.86 AMY1A (0.60) AMY1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9727181 0.82 KMT2A (0.44) AMY1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9524479 0.81 KDM4E (0.62) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL9524488 0.81 KDM4E (0.62) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL9525712 0.79 KMT2A (0.45) AMY1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9818009 0.79 AMY1A (0.58) AMY1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9525542 0.78 KMT2A (0.64) AMY1AKMT2AMEN1ALDH1A1MAPT

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