SCHEMBL10970985

SCHEMBL10970985

CCOC(=O)Oc1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
ADORA3 P0DMS8 3/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL10970173 0.80 MEN1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8210570 0.79 ALOX5 (0.46) ALOX5ALDH1A1LMNAMAPTHPGD
SCHEMBL13502464 0.79 TSPO (0.64) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL12676876 0.77 MEN1 (0.51) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL3588874 0.77 TSPO (0.62) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL6567506 0.74 ALDH1A1 (0.49) ALOX5ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL9335770 0.74 ALDH1A1 (0.46) ALOX5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL3585544 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL13502533 0.73 TSHR (0.45) ADORA3ALDH1A1LMNAMAPTHPGD
SCHEMBL9511701 0.72 ALOX5 (0.45) ALOX5ADORA3ALDH1A1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0122388-B1 PROCESS FOR PREPARING VICINAL POLYCARBONYL COMPOUNDS BASF Aktiengesellschaft (DE) 1985-11-06 EP disclosed
EP-0122388-A1 Process for preparing vicinal polycarbonyl compounds BASF Aktiengesellschaft (DE) 1984-10-24 EP disclosed