SCHEMBL6946252

SCHEMBL6946252

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 11/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
EP300 Q09472 11/20 0.49
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL6946249 1.00 KAT8 (0.53) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL8425818 0.95 MEN1 (0.48) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL8425816 0.95 MEN1 (0.48) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL8425820 0.90 MEN1 (0.44) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL6950148 0.87 FNTA (0.56) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL6950144 0.87 FNTA (0.56) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL6951899 0.86 KAT8 (0.53) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL8009118 0.86 KAT8 (0.53) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL8008711 0.86 KAT8 (0.59) KAT8FNTAFNTBMEN1KMT2A
SCHEMBL6947870 0.86 KAT8 (0.59) KAT8FNTAFNTBMEN1KMT2A

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