SCHEMBL7850844

SCHEMBL7850844

NC1CC2CCN(c3ccc4c(=O)c(C(=O)O)cn(-c5ccc(F)cc5)c4n3)CC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46
GSK3B P49841 1/20 0.46
RARB P10826 1/20 0.46
TBXAS1 P24557 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
DPP4 P27487 2/20 0.40
MEN1 O00255 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
SCHEMBL7841220 1.00 KMT2A (0.47) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7850838 1.00 KMT2A (0.47) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7841223 0.89 KMT2A (0.38) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066496 0.89 KMT2A (0.61) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066499 0.89 KMT2A (0.61) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7840116 0.89 KMT2A (0.61) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066819 0.80 EPHA2 (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066461 0.80 EPHA2 (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066823 0.80 EPHA2 (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7840118 0.79 KMT2A (0.49) KMT2AEPHA2FLT4GSK3BRARB

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-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed
EP-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP disclosed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed
WO-1994015933-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL FOODS & CHEMICALS, INC. (KR) 1994-07-21 WO disclosed