SCHEMBL28552136

SCHEMBL28552136

O=[N+]([O-])c1cc(O)c2ncccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
KDM4E B2RXH2 8/20 0.57
TDP1 Q9NUW8 5/20 0.57
HTT P42858 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
PKM P14618 4/20 0.57
CASP6 P55212 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSP90AA1 P07900 4/20 0.50
HSP90AB1 P08238 1/20 0.50
ALDH1A1 P00352 8/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
LMNA P02545 5/20 0.48
IDO1 P14902 3/20 0.48
CTSB P07858 2/20 0.48

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
SCHEMBL5822770 0.81 PDE10A (0.45) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL8566513 0.76 CASP6 (0.44) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL5257685 0.74 KDM4E (0.50) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL2167844 0.73 MAPT (1.00) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL28748533 0.73 POLB (0.51) MAPTKDM4ETDP1HTTSMN1; SMN2
Bromide SCHEMBL5865072 0.72 MAPT (0.97) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL28008057 0.71 METAP2 (0.46) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL6636369 0.71 PRMT5 (0.50) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL30625771 0.71 MMP2 (0.46) MAPTKDM4ETDP1HTTSMN1; SMN2
SCHEMBL11069574 0.70 KDM4E (0.46) MAPTKDM4ETDP1HTTSMN1; SMN2

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-108137586-B Novel imidazo [4,5-c ] quinoline and imidazo [4,5-c ] [1,5] naphthyridine derivatives as LRRK2 inhibitors 辉瑞大药厂 2021-04-13 CN disclosed