SCHEMBL30060423

SCHEMBL30060423

C=CCOc1nn(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.52
▸ CNR1 P21554 6/20 0.45
▸ ACHE P22303 6/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTR1A P08908 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL22151030 0.79 L3MBTL1 (0.48) CNR2CNR1ACHEL3MBTL1HTT
SCHEMBL30059893 0.78 DDB1 (0.39) CNR2CNR1ACHE
SCHEMBL7119708 0.74 CNR2 (0.69) CNR2CNR1ACHEL3MBTL1MAPT
SCHEMBL3380500 0.73 L3MBTL1 (0.52) CNR2L3MBTL1HTTTDP1MAPT
SCHEMBL13106375 0.72 L3MBTL1 (0.49) CNR2CNR1ACHEL3MBTL1HTT
SCHEMBL8000556 0.72 HTR1A (0.43) L3MBTL1HTR1ACYP2C19HTTPOLB
SCHEMBL7998670 0.72 MAPT (0.40) L3MBTL1HTR1AHTTPOLBTDP1
SCHEMBL7815982 0.72 CNR2 (0.57) CNR2CNR1ACHEL3MBTL1HTR1A
SCHEMBL30955734 0.72 L3MBTL1 (0.51) CNR2L3MBTL1HTTTDP1MAPT
SCHEMBL19586107 0.72 L3MBTL1 (0.51) CNR2CNR1ACHEL3MBTL1HTT

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-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 — — WO disclosed
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