SCHEMBL4761508

SCHEMBL4761508

COc1c(N2CCNC(c3ccccc3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.79
▸ HPGD P15428 4/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ KCNH2 Q12809 3/20 0.79
▸ HSD17B10 Q99714 2/20 0.79
▸ POLB P06746 2/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79
▸ PRKD3 O94806 1/20 0.79
▸ ALOX15 P16050 1/20 0.79
▸ OPRM1 P35372 1/20 0.79
▸ CLK2 P49760 1/20 0.79
▸ CLK4 Q9HAZ1 1/20 0.79
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ LMNA P02545 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CYP2C19 P33261 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ TOP1 P11387 2/20 0.54
▸ GSK3B P49841 2/20 0.54

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
SCHEMBL4715452 1.00 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL10863651 0.91 KDM4E (0.64) KDM4EHPGDALDH1A1KCNH2HSD17B10
Hydrochloric Acid SCHEMBL4713001 0.90 KDM4E (0.64) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL2224369 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL22591 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL22592 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL30910969 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL29356306 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
(R)-Gatifloxacin SCHEMBL5670068 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL4820507 0.88 KDM4E (0.89) KDM4EHPGDALDH1A1KCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6271568-A — — None — — JP disclosed
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 — — EP disclosed
JP-H06271568-A 7-PHENYLPIPERAZINYLQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1994-09-27 — — JP disclosed
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