SCHEMBL31299594

SCHEMBL31299594

Sc1ccc(N2CCCCC2)cc1.[Na]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 5/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ ALOX15 P16050 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ LMNA P02545 5/20 0.50

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
SCHEMBL20908718 0.98 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL21450824 0.95 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL6887590 0.84 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL2174173 0.82 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL31299605 0.79 LMNA (0.56) ALDH1A1MAPTALOX15HTTNPC1
Hydrochloric Acid SCHEMBL29475563 0.79 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL31013493 0.77 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL13456026 0.76 LMNA (0.58) ALDH1A1MAPTALOX15HTTNPC1
SCHEMBL28356161 0.76 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1ALOX15HTT
SCHEMBL23260236 0.74 ADRB1 (0.63) ALDH1A1KDM4EHSD17B10USP2LMNA

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-118974021-A Preparation method of thiobenzimidazole derivative and novel intermediate for same 高丽大学校产学协力团 2024-11-15 — — CN disclosed
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