SCHEMBL8799291

SCHEMBL8799291

C=CCOC(=O)Oc1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 5/20 0.62
LMNA P02545 4/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 4/20 0.62
CYP1A2 P05177 1/20 0.62
TOP2A P11388 1/20 0.62
CYP2C9 P11712 1/20 0.62
TOP2B Q02880 1/20 0.62
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
CASP3 P42574 1/20 0.48
CASP9 P55211 1/20 0.48
BAX Q07812 1/20 0.48
BRD4 O60885 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIK3CD O00329 3/20 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
SCHEMBL1387402 0.88 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1857925 0.84 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8198233 0.84 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9808640 0.84 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL7763708 0.80 KDM4E (0.85) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL5617757 0.79 KDM4E (0.82) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10028895 0.79 KDM4E (0.82) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL3734545 0.78 KDM4E (0.89) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7824399 0.78 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL3721756 0.78 KDM4E (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606336-B1 PROCESS FOR MAKING ANTIMICROBIAL QUINOLONYL LACTAMS PROCTER & GAMBLE PHARMA (US) 1997-03-19 EP claimed