SCHEMBL28982648

SCHEMBL28982648

[2H]c1ccc(N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.68
▸ ALDH1A1 P00352 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMO O15229 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AKR1C3 P42330 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C9 P11712 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
SCHEMBL254812 0.83 LMNA (0.95) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL3948094 0.83 LMNA (0.95) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL2555823 0.83 LMNA (0.95) LMNAALDH1A1MEN1MAPTHTT
Ammonia Solution, Strong SCHEMBL4262260 0.81 LMNA (0.91) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL13809379 0.81 LMNA (1.00) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL4408839 0.81 LMNA (0.91) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL184087 0.81 LMNA (0.91) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL11203977 0.81 LMNA (1.00) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL10070835 0.81 LMNA (1.00) LMNAALDH1A1MEN1MAPTHTT
Hydrochloric Acid SCHEMBL9131024 0.81 LMNA (0.91) LMNAALDH1A1MEN1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745720-B Dehalogenation deuteration preparation method of deuteration aromatic compound 浙大宁波理工学院 2024-04-26 — — CN disclosed
CN-115745720-A Dehalogenation deuteration preparation method of deuteration aromatic compound 浙大宁波理工学院 2023-03-07 — — CN disclosed
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