SCHEMBL9749468

SCHEMBL9749468

CC(F)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC(C3)N4C)c(F)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
POLB P06746 2/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
PMP22 Q01453 1/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 3/20 0.45
TOP2B Q02880 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9670575 0.86 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9749475 0.84 KDM4E (0.71) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9749429 0.84 KDM4E (0.67) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9748530 0.80 KDM4E (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9671640 0.80 ALDH1A1 (0.72) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9522855 0.79 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9634820 0.78 KCNH2 (0.58) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9666234 0.77 TOP2A (0.61) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9666037 0.76 ALDH1A1 (0.70) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9668234 0.76 TOP2A (0.61) KCNH2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed