SCHEMBL6948635

SCHEMBL6948635

CCOC(=O)CC1=NN(c2ccc(NC(=O)C(F)(F)F)cc2)C(=O)/C1=C/Nc1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDX3X O00571 1/20 0.38
TP53 P04637 2/20 0.37
P2RY1 P47900 2/20 0.34
NPY5R Q15761 1/20 0.34
PCK1 P35558 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL6948638 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8425488 0.95 MEN1 (0.45) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8425487 0.95 MEN1 (0.45) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6952099 0.90 MAPT (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6951587 0.90 MAPT (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6951586 0.90 MAPT (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6952803 0.90 TP53 (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6952104 0.90 MAPT (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6952800 0.90 TP53 (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6946842 0.89 MEN1 (0.49) MAPTALDH1A1MEN1KMT2AMAPK1

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-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP claimed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed