SCHEMBL28154686

SCHEMBL28154686

COc1ccnc(C=O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.41
PRKDC P78527 1/20 0.40
NFE2L2 Q16236 5/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FDPS P14324 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL29935924 0.81 ALDH1A1 (0.37) ERN1NFE2L2ALDH1A1TSHRKDM4E
SCHEMBL746942 0.81 NFE2L2 (0.41) ERN1PRKDCNFE2L2ALDH1A1TSHR
SCHEMBL4111524 0.81 ALDH1A1 (0.37) ERN1NFE2L2ALDH1A1TSHRKDM4E
SCHEMBL746493 0.81 ERN1 (0.44) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL30963127 0.81 ALDH1A1 (0.37) ERN1NFE2L2ALDH1A1TSHRKDM4E
SCHEMBL30644382 0.79 PRKDC (0.39) ERN1PRKDCNFE2L2ALDH1A1TSHR
SCHEMBL29268437 0.79 ERN1 (0.49) ERN1ALDH1A1KDM4ETDP1LMNA
SCHEMBL29954700 0.79 NFE2L2 (0.39) ERN1NFE2L2ALDH1A1TSHRKDM4E
SCHEMBL15335119 0.79 ERN1 (0.40) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL28719128 0.79 ERN1 (0.40) ERN1PRKDCNFE2L2ALDH1A1TSHR

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
CN-106800531-A A kind of fluorescence probe PMPA and preparation method and application 山西大学 2017-06-06 CN disclosed