SCHEMBL9634547

SCHEMBL9634547

CCn1cc(C(=O)OC)c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.79
ALDH1A1 P00352 7/20 0.79
HPGD P15428 5/20 0.79
HSD17B10 Q99714 5/20 0.79
LMNA P02545 2/20 0.79
TSHR P16473 2/20 0.79
HTT P42858 2/20 0.79
BRD4 O60885 1/20 0.79
CYP2J2 P51589 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
GAA P10253 3/20 0.63
DRD3 P35462 1/20 0.62
RAD52 P43351 1/20 0.62
NPC1 O15118 1/20 0.60
GLA P06280 1/20 0.57
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13923331 0.92 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9344503 0.91 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10028896 0.91 KDM4E (0.84) KDM4EALDH1A1HPGDHSD17B10LMNA
Norfloxacin SCHEMBL27395494 0.89 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Norfloxacin SCHEMBL3473 0.89 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Norfloxacin SCHEMBL2221304 0.89 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10913227 0.88 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
Norfloxacin SCHEMBL11524201 0.88 ALDH1A1 (0.98) KDM4EALDH1A1HPGDHSD17B10LMNA
Norfloxacin SCHEMBL10911469 0.88 ALDH1A1 (0.98) KDM4EALDH1A1HPGDHSD17B10LMNA
Norfloxacin SCHEMBL28495826 0.88 ALDH1A1 (0.98) KDM4EALDH1A1HPGDHSD17B10LMNA

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
US-5162523-A CEPHALOSPORIN ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1992-11-10 US disclosed
US-5159077-A Bactericide, antibiotic HOFFMANN-LA ROCHE INC. (US) 1992-10-27 US disclosed
EP-0409081-A1 Beta-Lactam Derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 EP disclosed
US-4472579-A REACTING A PIPERAZINE WITH A CHLORO QUINOLINECARBOXYLIC ACID ESTER, HYDROLYSIS KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed