SCHEMBL9324629

SCHEMBL9324629

CCN(Cc1ccccc1)C12CCC(CC1)CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 1/20 0.55
TOP2B Q02880 2/20 0.49
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
CYP2C9 P11712 1/20 0.49
PIK3CG P48736 5/20 0.44
PIK3CD O00329 3/20 0.44
PIK3R1 P27986 3/20 0.44
PIK3CA P42336 3/20 0.44
HRH3 Q9Y5N1 1/20 0.42
TOP1 P11387 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 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
SCHEMBL9324623 0.80 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9324360 0.76 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL25381168 0.72 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30306130 0.72 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9757380 0.72 KDM4E (0.64) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL30306106 0.71 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL25381316 0.71 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL17554684 0.71 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9671295 0.71 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL149150 0.71 KDM4E (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356193-B1 Amino-substituted bridged azabicyclic quinolone carboxylic acids and esters PFIZER (US) 1994-02-16 EP disclosed
US-5147873-A Amino-substituted bridged azabicyclic quinolone carboxylic acids and esters PFIZER INC. (US) 1992-09-15 US disclosed