SCHEMBL9670733

SCHEMBL9670733

CN1C2CCC1CN(c1cc3c(cc1F)c(=O)c(OC(=O)O)cn3C1CC1)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
TOP2A P11388 1/20 0.53
CYP2C9 P11712 1/20 0.53
TOP2B Q02880 1/20 0.53
MAPT P10636 1/20 0.53
PIK3CG P48736 7/20 0.47
PIK3CD O00329 5/20 0.47
PIK3R1 P27986 5/20 0.47
PIK3CA P42336 5/20 0.47
HRH3 Q9Y5N1 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10921669 0.92 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9370160 0.90 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9671300 0.89 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9666213 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9665896 0.89 ALDH1A1 (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10817831 0.88 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9665934 0.88 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9671880 0.88 KDM4E (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL2851459 0.88 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10755985 0.87 KDM4E (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP claimed
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed