SCHEMBL8622069

SCHEMBL8622069

Cc1c(F)c(N2CC(C)NC(C)C2)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 4/20 0.51
KCNH2 Q12809 3/20 0.51
CACNA1F O60840 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
GSK3B P49841 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 6/20 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
SCHEMBL10588580 1.00 KMT2A (0.54) KMT2AMEN1POLBKCNH2CACNA1F
SCHEMBL9090578 0.93 KMT2A (0.49) KMT2AMEN1POLBKCNH2CACNA1F
SCHEMBL9087790 0.90 KCNH2 (0.54) KMT2AMEN1POLBKCNH2CACNA1F
SCHEMBL9086627 0.86 KCNH2 (0.53) KMT2AMEN1POLBKCNH2CACNA1F
SCHEMBL8623001 0.85 KCNH2 (0.54) KMT2AMEN1POLBKCNH2CACNA1F
SCHEMBL8558490 0.85 ALDH1A1 (0.50) KMT2AMEN1POLBKCNH2EPHA2
SCHEMBL8557898 0.84 KMT2A (0.52) KMT2AMEN1POLBMAPK1EPHA2
SCHEMBL8619695 0.84 KMT2A (0.60) KMT2APOLBEPHA2FLT4GSK3B
SCHEMBL9087210 0.84 KCNH2 (0.53) KMT2AMEN1POLBKCNH2CACNA1F
SCHEMBL9086611 0.83 KCNH2 (0.50) KMT2AMEN1POLBKCNH2CACNA1F

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2815119-B2 1998-10-27 JP claimed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP claimed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO claimed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed
EP-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP disclosed