SCHEMBL29061003

SCHEMBL29061003

O=C(NCc1ccco1)c1ccccc1N(c1ccc(Cl)cc1)[SH](=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ POLB P06746 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL29061005 0.85 HPGD (0.54) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL23412473 0.83 HPGD (0.47) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL30639190 0.74 HPGD (0.69) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL2422719 0.73 TDP1 (0.73) HPGDSMN1; SMN2POLBMAPTTP53
SCHEMBL19420131 0.71 HPGD (0.71) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL23440341 0.71 SMN1; SMN2 (0.61) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL12172824 0.70 NPSR1 (0.72) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL23413024 0.70 ALDH1A1 (0.69) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL30092886 0.70 ALDH1A1 (0.69) HPGDSMN1; SMN2POLBMAPTHTT
SCHEMBL6358692 0.70 HPGD (0.66) HPGDSMN1; SMN2POLBMAPTHTT

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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