SCHEMBL6950148

SCHEMBL6950148

CCCOc1ccccc1NC=C1C(=O)N(c2ccc(C(=O)O)cc2)N=C1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
KAT8 Q9H7Z6 10/20 0.54
EP300 Q09472 9/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GPR55 Q9Y2T6 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
UBA2 Q9UBT2 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6950144 1.00 FNTA (0.56) FNTAFNTBKAT8EP300MEN1
SCHEMBL8427626 0.95 FNTA (0.51) FNTAFNTBKAT8EP300MEN1
SCHEMBL8427624 0.95 FNTA (0.51) FNTAFNTBKAT8EP300MEN1
SCHEMBL6949454 0.91 GAA (0.50) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL6949451 0.91 GAA (0.50) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL8427629 0.90 FNTA (0.45) FNTAFNTBKAT8EP300MEN1
SCHEMBL6951899 0.88 KAT8 (0.53) FNTAFNTBKAT8EP300MEN1
SCHEMBL8009118 0.88 KAT8 (0.53) FNTAFNTBKAT8EP300MEN1
SCHEMBL8008711 0.87 KAT8 (0.59) FNTAFNTBKAT8EP300MEN1
SCHEMBL6947870 0.87 KAT8 (0.59) FNTAFNTBKAT8EP300MEN1

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 4 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-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 claimed
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