SCHEMBL26434159

SCHEMBL26434159

Cc1ccccc1-c1n(C)c2ccccc2[n+]1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NTRK1 P04629 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
PKM P14618 1/20 0.35
BRD4 O60885 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
GPR3 P46089 1/20 0.31
NQO2 P16083 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL13173905 0.81 ERAP1 (0.54) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL25911892 0.74 GPR3 (0.38) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL26018047 0.70 ERAP1 (0.39) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL13173870 0.68 ERAP1 (0.54) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL26017124 0.68 ERAP1 (0.50) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL26017011 0.67 ERAP1 (0.37) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL26018412 0.67 ERAP1 (0.39) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL26017105 0.67 ERAP1 (0.49) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL26379022 0.67 PTPN1 (0.39) ERAP1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL25445452 0.65 KDM4E (0.38) ERAP1KDM4EALDH1A1MAPTL3MBTL1

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-2023065614-A1 METAL COMPLEX, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC COMPONENT 广州华睿光电材料有限公司 2023-04-27 WO disclosed