SCHEMBL9684784

SCHEMBL9684784

CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
KCNH2 Q12809 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
PMP22 Q01453 1/20 0.50
TOP1 P11387 5/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
LMNA P02545 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL10619519 0.88 KDM4E (0.53) KDM4EALDH1A1KCNH2HPGDHSD17B10
Merafloxacin SCHEMBL24334175 0.87 KDM4E (0.67) KDM4EALDH1A1KCNH2HPGDHSD17B10
Merafloxacin SCHEMBL10682058 0.87 KDM4E (0.67) KDM4EALDH1A1KCNH2HPGDHSD17B10
Merafloxacin SCHEMBL30194906 0.87 KDM4E (0.67) KDM4EALDH1A1KCNH2HPGDHSD17B10
Merafloxacin SCHEMBL2110210 0.87 KDM4E (0.67) KDM4EALDH1A1KCNH2HPGDHSD17B10
Merafloxacin SCHEMBL10676722 0.86 KDM4E (0.67) KDM4EALDH1A1KCNH2HPGDHSD17B10
Pd-117558 SCHEMBL8922444 0.86 KCNH2 (0.65) KDM4EALDH1A1KCNH2HPGDHSD17B10
Merafloxacin SCHEMBL10676726 0.86 KDM4E (0.67) KDM4EALDH1A1KCNH2HPGDHSD17B10
SCHEMBL10900565 0.86 KDM4E (0.51) KDM4EALDH1A1KCNH2HPGDHSD17B10
SCHEMBL10675698 0.86 KDM4E (0.58) KDM4EALDH1A1KCNH2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed