SCHEMBL10732486

SCHEMBL10732486

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ HTT P42858 6/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ AR P10275 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11254783 0.82 MEN1 (0.43) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL10727334 0.80 KDM4E (0.47) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL11254789 0.79 MEN1 (0.40) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL10746185 0.79 ALDH1A1 (0.70) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL10566344 0.77 RAB9A (0.41) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL10730613 0.76 SMN1; SMN2 (0.52) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL6956520 0.75 ALDH1A1 (0.64) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL4384277 0.75 ALDH1A1 (0.64) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL744307 0.74 ALDH1A1 (0.48) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL29351076 0.74 ALDH1A1 (0.48) MAPTHTTKMT2AMEN1SMN1; SMN2

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
US-4699984-A Preparation of intermediates to 6-fluoro-7-(2,6-dimethylpyridyl)quinoline carboxylic acids and compounds STERLING DRUG INC. (US) 1987-10-13 — — US disclosed
US-4698350-A 1-ethyl-6-fluoro-1,4-dihydro-7-(2,6-dimethyl-4-pyridinyl)-4-oxo-3-quinolinecarboxylic acid and antibacterial use thereof STERLING DRUG INC. (US) 1987-10-06 — — US disclosed
EP-0179239-A2 7-(Pyridinyl)-/-alkyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid having antibacterial activity and preparation thereof STERLING DRUG INC. (US) 1986-04-30 — — EP disclosed
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