SCHEMBL30677993

SCHEMBL30677993

Nc1ccccc1Nc1c(Br)cccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.57
MAPT P10636 6/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
APP P05067 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
SNCA P37840 1/20 0.53
BLM P54132 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK14 Q16539 6/20 0.51

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
SCHEMBL22188161 1.00 GAA (0.57) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL21185968 0.83 MAPT (0.56) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL29414646 0.83 MAPT (0.56) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL32676372 0.80 MAPT (0.37) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL11901586 0.78 MAPT (0.50) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL31316355 0.77 MAPT (0.42) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL30779697 0.77 MAPT (0.46) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2677107 0.77 MAPT (0.71) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2764151 0.75 MAPT (0.70) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL20916302 0.75 MAPT (0.55) GAAMAPTKDM4EALDH1A1MEN1

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
CN-117304234-A Organic electroluminescent material and device 环球展览公司 2023-12-29 CN disclosed
CN-111747989-B Organic electroluminescent material and device 环球展览公司 2023-10-31 CN disclosed