SCHEMBL10838591

SCHEMBL10838591

CC(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.78
▸ ALDH1A1 P00352 4/20 0.78
▸ LMNA P02545 3/20 0.78
▸ HPGD P15428 2/20 0.78
▸ HSD17B10 Q99714 2/20 0.78
▸ MAPT P10636 1/20 0.78
▸ TOP2B Q02880 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ TOP2A P11388 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ PIK3CG P48736 5/20 0.58
▸ PIK3CD O00329 3/20 0.58
▸ PIK3R1 P27986 3/20 0.58
▸ PIK3CA P42336 3/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.57
▸ HTT P42858 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
SCHEMBL10884780 0.88 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL28954444 0.88 KDM4E (0.89) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL6742652 0.88 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL149150 0.88 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL17554684 0.88 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL29349852 0.88 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5007468 0.87 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14010224 0.87 KDM4E (0.78) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL10741694 0.87 KDM4E (0.98) KDM4EALDH1A1LMNAHPGDHSD17B10
Enrofloxacin SCHEMBL16784595 0.87 KDM4E (0.98) 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
EP-0117474-B1 QUINOLONE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1986-10-29 — — EP disclosed
EP-0118854-B1 BACTERICIDAL AGENT CONTAINING QUINOLONE-CARBOXYLIC ACIDS BAYER AG (DE) 1986-07-23 — — EP disclosed
US-4563448-A PHYTOPATHOGENS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 — — US disclosed
US-4559342-A Quinolone acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 — — US disclosed
EP-0118854-A1 Bactericidal agent containing quinolone-carboxylic acids BAYER AG (DE) 1984-09-19 — — EP disclosed
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