SCHEMBL31299605

SCHEMBL31299605

Sc1ccc(N2CCOCC2)cc1.[Na]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ KDM4E B2RXH2 4/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ LGMN Q99538 1/20 0.48
▸ GSK3B P49841 1/20 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
SCHEMBL13456026 0.98 LMNA (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9093746 0.85 LMNA (0.71) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL31299594 0.79 ALDH1A1 (0.56) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL574470 0.79 LMNA (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3949359 0.79 LMNA (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2175616 0.78 LMNA (0.62) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL21450824 0.78 ALDH1A1 (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL20908718 0.76 ALDH1A1 (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL28815529 0.76 LMNA (0.67) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9092806 0.76 LMNA (0.60) LMNAMAPTALDH1A1MEN1KMT2A

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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