SCHEMBL29061005

SCHEMBL29061005

Cc1ccc(N(c2ccccc2C(=O)NCc2ccco2)[SH](=O)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 11/20 0.54
▸ ALDH1A1 P00352 9/20 0.54
▸ MAPT P10636 6/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.51
▸ POLB P06746 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TSHR P16473 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ GAA P10253 2/20 0.46

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
SCHEMBL29061003 0.85 HPGD (0.52) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL23412473 0.85 HPGD (0.47) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL23440346 0.72 HPGD (0.56) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL30093081 0.71 ALDH1A1 (0.71) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL23412458 0.71 ALDH1A1 (0.71) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL12172824 0.69 NPSR1 (0.72) HPGDALDH1A1MAPTHSD17B10POLB
SCHEMBL23412461 0.69 KDM4E (0.72) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL30092907 0.69 KDM4E (0.72) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL16676602 0.68 HPGD (0.66) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL19747003 0.68 HPGD (0.69) HPGDALDH1A1MAPTKDM4EHSD17B10

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-115397806-A Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase 增益治疗股份有限公司 2022-11-25 — — CN disclosed
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