SCHEMBL26018020

SCHEMBL26018020

O=c1[nH]c(I)nc2c1CCCN2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.42
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ OR51E2 Q9H255 1/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PARP1 P09874 8/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL20954817 0.79 UHRF1 (0.42) UHRF1GRIA1GRIA2GRIA3GRIA4
SCHEMBL15757443 0.79 UHRF1 (0.42) UHRF1GRIA1GRIA2GRIA3GRIA4
SCHEMBL26017824 0.72 HPGD (0.53) SMN1; SMN2ALDH1A1MAPTPARP1HPGD
SCHEMBL17086636 0.72 HPGD (0.49) SMN1; SMN2ALDH1A1MAPTPARP1HPGD
SCHEMBL26018101 0.72 NOS1 (0.32) ALDH1A1MAPTHPGD
SCHEMBL15573568 0.69 PARP1 (0.49) UHRF1ALDH1A1PARP1TNKSPARP2
SCHEMBL18998116 0.68 HTT (0.51) SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL9211592 0.66 NPSR1 (0.41) UHRF1GRIA1GRIA2GRIA3GRIA4
SCHEMBL26018017 0.65 TNKS (0.48) PARP1TNKS
SCHEMBL26018019 0.64 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4OR51E2

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-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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