SCHEMBL9706622

SCHEMBL9706622

CCOC(=O)C(Br)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9573157 0.81 GAA (0.53) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9706694 0.81 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9562979 0.81 ADORA3 (0.44) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL8943560 0.79 ALDH1A1 (0.41) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9562980 0.79 ADORA3 (0.42) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9082509 0.78 ADORA3 (0.41) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL8943363 0.78 ALDH1A1 (0.40) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9083797 0.78 ADORA3 (0.41) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9083791 0.78 ADORA3 (0.41) ALDH1A1ADORA3ADORA1POLBKDM4E
SCHEMBL9589280 0.77 ADORA3 (0.41) ALDH1A1ADORA3ADORA1POLBKDM4E

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-1992010484-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-06-25 WO disclosed