SCHEMBL8425816

SCHEMBL8425816

C#CCOc1ccccc1N.C#CCOc1ccccc1N/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)N=C1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
KAT8 Q9H7Z6 13/20 0.48
EP300 Q09472 10/20 0.45
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL8425818 1.00 MEN1 (0.48) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL6946252 0.95 KAT8 (0.53) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL6946249 0.95 KAT8 (0.53) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8427626 0.88 FNTA (0.51) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8427624 0.88 FNTA (0.51) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425624 0.88 FNTA (0.49) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425621 0.88 FNTA (0.49) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8423941 0.85 KMT2A (0.54) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8423937 0.85 KMT2A (0.54) MEN1KMT2AFNTAFNTBKAT8
SCHEMBL8425820 0.85 MEN1 (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