SCHEMBL30523435

SCHEMBL30523435

Cc1nc(NCc2ccc(O)c(O)c2)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ HTR2B P41595 2/20 0.50
▸ TMIGD3 P0DMS9 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ PRMT1 Q99873 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ PLAA Q9Y263 1/20 0.49
▸ CDK1 P06493 2/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ STAT3 P40763 3/20 0.48
▸ ADRA2C P18825 1/20 0.47
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43

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
SCHEMBL16145860 1.00 MAPT (0.51) MAPTHTR2BTMIGD3HTR2CPRMT1
SCHEMBL16145780 0.88 HTR2B (0.52) MAPTHTR2BTMIGD3HTR2CPRMT1
SCHEMBL30523360 0.88 HTR2B (0.52) MAPTHTR2BTMIGD3HTR2CPRMT1
SCHEMBL16146391 0.86 MAPT (0.57) MAPTHTR2BTMIGD3HTR2CPRMT1
SCHEMBL30523413 0.85 CDK1 (0.67) MAPTHTR2BTMIGD3HTR2CCDK1
SCHEMBL16145984 0.85 CDK1 (0.67) MAPTHTR2BTMIGD3HTR2CCDK1
SCHEMBL16147024 0.83 PRMT1 (0.69) MAPTHTR2BTMIGD3HTR2CPRMT1
SCHEMBL16145956 0.81 STAT3 (0.64) MAPTHTR2BTMIGD3HTR2CPRMT1
SCHEMBL16145859 0.81 ALPG (0.50) MAPTPRMT1ALPLALPGPLAA
SCHEMBL16146206 0.81 MAPT (0.57) MAPTHTR2BTMIGD3HTR2CPRMT1

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-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 — — CN disclosed
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