SCHEMBL8423937

SCHEMBL8423937

COc1ccccc1N.COc1ccccc1N/C=C1/C(=O)N(c2ccc(C(=O)O)cc2)N=C1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KAT8 Q9H7Z6 9/20 0.53
EP300 Q09472 7/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
GAA P10253 1/20 0.48
AMY1A P0DUB6 1/20 0.46
SIRT5 Q9NXA8 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL8423941 1.00 KMT2A (0.54) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8008711 0.94 KAT8 (0.59) KMT2AMEN1KAT8EP300FNTA
SCHEMBL6947870 0.94 KAT8 (0.59) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8427624 0.87 FNTA (0.51) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8427626 0.87 FNTA (0.51) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8425624 0.86 FNTA (0.49) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8425621 0.86 FNTA (0.49) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8425816 0.85 MEN1 (0.48) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8425818 0.85 MEN1 (0.48) KMT2AMEN1KAT8EP300FNTA
SCHEMBL8425491 0.85 GAA (0.43) KMT2AMEN1GAAAMY1APOLB

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