SCHEMBL7015614

SCHEMBL7015614

COCOc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.75
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
ALDH1A1 P00352 5/20 0.59
DRD3 P35462 1/20 0.59
KDM4E B2RXH2 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
NPC1 O15118 1/20 0.55
PIK3CG P48736 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3R1 P27986 2/20 0.50
PIK3CA P42336 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 1/20 0.47
BRD4 O60885 1/20 0.47

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
SCHEMBL10861606 0.90 LMNA (0.82) LMNAKMT2AMEN1ALDH1A1DRD3
SCHEMBL10776491 0.87 LMNA (0.80) LMNAKMT2AMEN1ALDH1A1DRD3
Difloxacin SCHEMBL29695838 0.86 LMNA (1.00) LMNAKMT2AMEN1ALDH1A1DRD3
Difloxacin SCHEMBL148765 0.86 LMNA (1.00) LMNAKMT2AMEN1ALDH1A1DRD3
SCHEMBL9787515 0.85 LMNA (0.86) LMNAKMT2AMEN1ALDH1A1DRD3
Difloxacin SCHEMBL203110 0.85 LMNA (0.98) LMNAKMT2AMEN1ALDH1A1DRD3
SCHEMBL10531040 0.85 LMNA (0.86) LMNAKMT2AMEN1ALDH1A1DRD3
SCHEMBL10862888 0.85 KMT2A (0.76) LMNAKMT2AMEN1ALDH1A1DRD3
SCHEMBL10866307 0.85 LMNA (0.76) LMNAKMT2AMEN1ALDH1A1DRD3
Difloxacin SCHEMBL27973383 0.84 LMNA (0.96) LMNAKMT2AMEN1ALDH1A1DRD3

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-1313708-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2003-05-28 EP disclosed
WO-2002018345-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2002-03-07 WO disclosed