SCHEMBL3140892

SCHEMBL3140892

O=C(O)Oc1cc2nc(Br)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
AURKA O14965 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
HTT P42858 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
SCHEMBL3136953 0.82 POLB (0.40) HDAC6ADORA2AADORA1KDM4EMAPT
SCHEMBL3128146 0.81 GRIN2D (0.35) KDM4EMAPTEGLN1HTT
SCHEMBL3133401 0.78 NQO1 (0.37) HDAC6MAPT
SCHEMBL15567755 0.77 GABRP (0.39) KDM4EMAPTL3MBTL1HTT
SCHEMBL2105708 0.76 SMAD3 (0.49) KDM4EGLAMAPT
SCHEMBL30147596 0.76 SMAD3 (0.49) KDM4EGLAMAPT
SCHEMBL3136216 0.75
SCHEMBL3381954 0.74 FLT3 (0.48) HDAC6
SCHEMBL4036808 0.73 DAO (0.51) MAPTHTT
SCHEMBL3381701 0.71 HRH4 (0.43) MMP2MMP9MMP8MMP13KDM4E

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-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP claimed