SCHEMBL10809502

SCHEMBL10809502

CC(=O)CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
KCNH2 Q12809 4/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
TOP2A P11388 3/20 0.53
TOP2B Q02880 3/20 0.53
POLB P06746 3/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALB P02768 1/20 0.51

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
SCHEMBL8438107 0.91 ALDH1A1 (0.49) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL9636141 0.88 KDM4E (0.69) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL10809530 0.88 KDM4E (0.44) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL7821381 0.87 KDM4E (0.69) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL10400672 0.87 KCNH2 (0.56) KDM4EKCNH2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL10400523 0.86 KDM4E (0.67) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL10736927 0.85 TOP2A (0.60) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL10785816 0.85 TOP2A (0.62) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL9668066 0.85 TOP2A (0.62) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL10400589 0.85 KDM4E (0.51) KDM4EKCNH2ALDH1A1HPGDHSD17B10

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
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US claimed
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP disclosed
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 EP disclosed