SCHEMBL8425488

SCHEMBL8425488

CCNc1ccccc1.CCOC(=O)CC1=NN(c2ccc(NC(=O)C(F)(F)F)cc2)C(=O)C1=CNc1ccccc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.36
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDX3X O00571 1/20 0.35
NPY5R Q15761 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
P2RY1 P47900 1/20 0.32
THRB P10828 2/20 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
SCHEMBL8425487 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6948635 0.95 MAPT (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6948638 0.95 MAPT (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6952800 0.86 TP53 (0.39) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6952803 0.86 TP53 (0.39) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6952104 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6951587 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6951586 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6952099 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6946842 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTMAPK1

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-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed