SCHEMBL11113316

SCHEMBL11113316

O=C(O)CCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.52
TOP2A P11388 1/20 0.52
CYP2C9 P11712 1/20 0.52
TOP2B Q02880 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HIF1A Q16665 1/20 0.50
PIK3CG P48736 7/20 0.49
PIK3CD O00329 5/20 0.49
PIK3R1 P27986 5/20 0.49
PIK3CA P42336 5/20 0.49
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL10810567 0.95 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10810435 0.92 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10919032 0.91 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10818447 0.89 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10923341 0.89 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10881636 0.89 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL11008213 0.88 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10924392 0.88 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10807701 0.88 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL11116053 0.88 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117473-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed