SCHEMBL8425820

SCHEMBL8425820

C#CCOc1ccccc1NC=C1C(=O)N(c2ccc(C(=O)ONc3ccccc3OCC#C)cc2)N=C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KAT8 Q9H7Z6 10/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
EP300 Q09472 6/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6946252 0.90 KAT8 (0.53) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL6946249 0.90 KAT8 (0.53) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8427629 0.89 FNTA (0.45) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425625 0.87 FNTA (0.42) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8423943 0.87 GAA (0.47) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425816 0.85 MEN1 (0.48) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425818 0.85 MEN1 (0.48) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425444 0.81 KAT8 (0.45) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8424086 0.80 KAT8 (0.44) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8427524 0.79 KAT8 (0.44) MEN1KMT2AFNTAFNTBKAT8

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