SCHEMBL30856492

SCHEMBL30856492

c1ccc2c(SNC3CCCCC3)nsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ EPAS1 Q99814 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL1880698 1.00 ALDH1A1 (0.51) ALDH1A1HPGDTDP1KDM4EHSD17B10
SCHEMBL11600529 0.69 MAPT (0.54) ALDH1A1HPGDTDP1KDM4EHSD17B10
SCHEMBL15665083 0.69 MAPT (0.42) ALDH1A1KDM4EHSD17B10MAPTEPAS1
SCHEMBL3453639 0.68 EPAS1 (0.42) ALDH1A1KDM4EHSD17B10MAPTEPAS1
SCHEMBL80270 0.68 ALDH1A1 (1.00) ALDH1A1HPGDTDP1KDM4EHSD17B10
SCHEMBL29658287 0.68 ALDH1A1 (1.00) ALDH1A1HPGDTDP1KDM4EHSD17B10
SCHEMBL10714830 0.67 ALDH1A1 (0.97) ALDH1A1HPGDTDP1KDM4EHSD17B10
SCHEMBL6024930 0.67 ALDH1A1 (0.49) ALDH1A1HPGDTDP1KDM4EMAPT
SCHEMBL6691525 0.67 MAPT (0.55) ALDH1A1KDM4EHSD17B10MAPTEPAS1
SCHEMBL18485267 0.67 MAPT (0.50) ALDH1A1KDM4EHSD17B10MAPTEPAS1

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-117881759-A Thermoplastic resin composition, resin sheet, and laminate 宝理塑料赢创有限公司 2024-04-12 — — CN disclosed
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