SCHEMBL30833686

SCHEMBL30833686

Cc1nn(N2CCN(C)CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
ACHE P22303 2/20 0.42
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
EIF2AK2 P19525 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR7 P34969 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTR6 P50406 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL29190609 1.00 MAPT (0.47) MAPTL3MBTL1SIRT6ACHEAPP
SCHEMBL29741986 0.78 L3MBTL1 (0.63) MAPTL3MBTL1ACHEALDH1A1LMNA
SCHEMBL12193567 0.78 L3MBTL1 (0.63) MAPTL3MBTL1ACHEALDH1A1LMNA
SCHEMBL30833689 0.78 MAPT (0.45) MAPTL3MBTL1SIRT6ACHEAPP
SCHEMBL29190685 0.78 MAPT (0.45) MAPTL3MBTL1SIRT6ACHEAPP
Ammonia Solution, Strong SCHEMBL27978075 0.76 L3MBTL1 (0.62) MAPTL3MBTL1ACHEALDH1A1LMNA
SCHEMBL28213722 0.74 MAPT (0.51) MAPTL3MBTL1ACHEALDH1A1LMNA
SCHEMBL30833811 0.73 HTR7 (0.47) MAPTL3MBTL1SIRT6ACHEAPP
SCHEMBL14923447 0.72 CNR2 (0.52) MAPTL3MBTL1ACHELMNACNR1
SCHEMBL14910849 0.72 MAPT (0.47) MAPTL3MBTL1ACHEALDH1A1LMNA

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed