SCHEMBL19301044

SCHEMBL19301044

CN(C)/N=C\c1cccc2c1C(=O)OC2O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 4/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3374566 0.77 ERN1 (0.37) MAPTKMT2ATDP1MEN1LMNA
SCHEMBL5120598 0.70 TYMS (0.39) POLBMAPTKMT2AHTTTDP1
SCHEMBL19301043 0.70 TYMS (0.39) POLBMAPTKMT2AHTTTDP1
SCHEMBL5120606 0.70 TYMS (0.39) POLBMAPTKMT2AHTTTDP1
SCHEMBL29380022 0.70 TYMS (0.39) POLBMAPTKMT2AHTTTDP1
SCHEMBL19300884 0.70 MAPT (0.41) POLBMAPTKMT2AHTTTDP1
SCHEMBL18826578 0.70 CA1 (0.38) MAPTKMT2AHTTMEN1GAA
SCHEMBL23707669 0.68 CES2 (0.50) MAPTKMT2AHTTTDP1MEN1
SCHEMBL9140835 0.68 CES2 (0.50) MAPTKMT2AHTTTDP1MEN1
SCHEMBL22276494 0.66 CA1 (0.38) LMNAMAPK1ALDH1A1

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
WO-2017146581-A1 AROMATIC COMPOUNDS FROM FURANICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-08-31 WO disclosed