SCHEMBL8923552

SCHEMBL8923552

C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 1/20 0.60
CYP1A2 P05177 1/20 0.58
TOP2A P11388 1/20 0.58
CYP2C9 P11712 1/20 0.58
TOP2B Q02880 1/20 0.58
PIK3CG P48736 5/20 0.51
PIK3CD O00329 3/20 0.51
PIK3R1 P27986 3/20 0.51
PIK3CA P42336 3/20 0.51
KCNH2 Q12809 3/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL8924380 1.00 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8925813 1.00 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8924287 1.00 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8565924 0.88 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8924285 0.87 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8926310 0.87 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8925784 0.87 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8925752 0.87 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8925675 0.87 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8925741 0.86 KCNH2 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed