SCHEMBL6949462

SCHEMBL6949462

CCc1ccccc1N/C=C1/C(=O)N(c2ccc(C(=O)O)cc2)N=C1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 13/20 0.60
EP300 Q09472 10/20 0.53
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GPR55 Q9Y2T6 1/20 0.48
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8008959 1.00 KAT8 (0.60) KAT8EP300FNTAFNTBMEN1
SCHEMBL8425443 0.95 KAT8 (0.55) KAT8EP300FNTAFNTBMEN1
SCHEMBL8425442 0.95 KAT8 (0.55) KAT8EP300FNTAFNTBMEN1
SCHEMBL6949450 0.91 KAT8 (0.56) KAT8EP300FNTAFNTBMEN1
SCHEMBL6946831 0.91 KAT8 (0.56) KAT8EP300FNTAFNTBMEN1
SCHEMBL6951558 0.88 KAT8 (0.47) KAT8EP300FNTAFNTBMEN1
SCHEMBL6951561 0.88 KAT8 (0.47) KAT8EP300FNTAFNTBMEN1
SCHEMBL8425444 0.87 KAT8 (0.45) KAT8EP300FNTAFNTBMEN1
SCHEMBL6949960 0.87 MEN1 (0.53) KAT8EP300FNTAFNTBMEN1
SCHEMBL6949466 0.87 MEN1 (0.53) KAT8EP300FNTAFNTBMEN1

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 5 patents. 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 claimed
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed