SCHEMBL29148788

SCHEMBL29148788

COc1cc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc(OC)c1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 10/20 0.43
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ SMPD3 Q9NY59 2/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ HPGD P15428 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
SCHEMBL2950385 0.88 BRD4 (0.40) TP53MAPTKDM4EALDH1A1GAA
SCHEMBL2951395 0.86 ALOX5 (0.43) MAPTKDM4EALDH1A1GAAMPI
SCHEMBL2942313 0.83 ABL1 (0.36) STAT3STAT1TP53MAPTKDM4E
SCHEMBL5576187 0.82 NOX1 (0.46) GAAGFERSMPD3NOX1
SCHEMBL28418538 0.81 CNR2 (0.35) SMPD3
SCHEMBL9429841 0.81 MGAM (0.39) AMY1ASTAT3STAT1MAPTKDM4E
SCHEMBL28999747 0.81 STAT3 (0.38) STAT3STAT1
SCHEMBL29148792 0.80 AMY1A (0.39) AMY1ATP53MAPTTHRBKDM4E
SCHEMBL8003382 0.79 NPC1 (0.40) STAT1TP53MAPTKDM4EALDH1A1
SCHEMBL3276862 0.79 ALDH1A1 (0.43) AMY1ASTAT3STAT1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164446-A Photocatalytic oxidative degradation method for polymer containing styrene structural unit 大连理工大学 2023-12-05 — — CN claimed
CN-117164446-A Photocatalytic oxidative degradation method for polymer containing styrene structural unit 大连理工大学 2023-12-05 — — CN disclosed
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