SCHEMBL9670558

SCHEMBL9670558

CN1CC2CCC1CN2c1cc2c(cc1F)c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
PIK3CG P48736 6/20 0.42
PIK3CD O00329 4/20 0.42
PIK3R1 P27986 4/20 0.42
PIK3CA P42336 4/20 0.42
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9669912 0.95 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9670553 0.87 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10912460 0.87 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10759404 0.85 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10886385 0.85 ALDH1A1 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9866071 0.84 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10646730 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9669720 0.84 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9670034 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9670733 0.84 KDM4E (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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