SCHEMBL13271978

SCHEMBL13271978

CN1CCON(c2c(F)cc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 5/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TOP1 P11387 1/20 0.35
▸ THRB P10828 1/20 0.34

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
SCHEMBL22471423 0.79 MAPT (0.59) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2
SCHEMBL29506617 0.74 MAPT (0.54) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2
SCHEMBL21373389 0.74 MAPT (0.54) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2
SCHEMBL21373435 0.73 MAPT (0.60) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2
SCHEMBL29506628 0.73 MAPT (0.60) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2
SCHEMBL21590162 0.71 MAPT (0.51) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2
SCHEMBL15247376 0.71 MEN1 (0.52) ALDH1A1CYP2C19SMN1; SMN2LMNAKMT2A
SCHEMBL3513303 0.70 ALDH1A1 (0.50) MAPTL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL11975455 0.69 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5004920 0.68 KMT2A (0.40) MAPTL3MBTL1SIRT6ALDH1A1CYP1A2

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-2208729-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation Itsuu Laboratory (JP) 2010-07-21 — — EP disclosed
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