SCHEMBL8570458

SCHEMBL8570458

COc1c(N2CCC(C(C)CNC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.71
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
POLB P06746 2/20 0.59
HSD17B10 Q99714 2/20 0.59
PRKD3 O94806 1/20 0.59
ALOX15 P16050 1/20 0.59
OPRM1 P35372 1/20 0.59
CLK2 P49760 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
TOP1 P11387 1/20 0.49

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
SCHEMBL8567576 0.93 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8571167 0.91 ALDH1A1 (0.60) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8331705 0.89 KCNH2 (0.74) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8331708 0.89 KCNH2 (0.74) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL6527456 0.87 KCNH2 (0.73) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8331712 0.85 KCNH2 (0.71) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL6527983 0.85 KCNH2 (0.66) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL9158722 0.84 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL5570665 0.84 KCNH2 (0.71) KCNH2KDM4EALDH1A1HPGDTDP1
Premafloxacin SCHEMBL1230581 0.84 KCNH2 (0.80) KCNH2KDM4EALDH1A1HPGDTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed