SCHEMBL30833689

SCHEMBL30833689

Cc1nn(C2CCN(C)CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ACHE P22303 3/20 0.41
SIRT6 Q8N6T7 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 2/20 0.38
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29190685 1.00 MAPT (0.45) MAPTL3MBTL1ACHESIRT6APP
SCHEMBL14910849 0.91 MAPT (0.47) MAPTL3MBTL1ACHESMN1; SMN2CNR2
SCHEMBL29190627 0.78 GAA (0.49) MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL30833690 0.78 GAA (0.49) MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL3352685 0.78 MAPT (0.47) MAPTACHESIRT6APPBCHE
SCHEMBL29190609 0.78 MAPT (0.47) MAPTL3MBTL1ACHESIRT6APP
SCHEMBL30833686 0.78 MAPT (0.47) MAPTL3MBTL1ACHESIRT6APP
SCHEMBL3355202 0.77 GLS (0.50) MAPTACHESIRT6SMN1; SMN2PKM
SCHEMBL29377201 0.77 GLS (0.50) MAPTACHESIRT6SMN1; SMN2PKM
SCHEMBL16308649 0.76 MAPT (0.40) MAPTL3MBTL1ACHESMN1; SMN2GAA

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