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Imidazole

Imidazole

SCHEMBL28528677

CCCCN1C(=O)NC(C)(C)C1=O.c1c[nH]cn1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5584328 0.83 POLB (0.61) POLBALDH1A1SMN1; SMN2MAPK1CNR1
SCHEMBL5584607 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MAPK1CNR1
SCHEMBL5584087 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MAPK1CNR1
SCHEMBL5584423 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MAPK1CNR1
SCHEMBL5584024 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MAPK1CNR1
SCHEMBL11694927 0.75 POLB (0.68) POLBALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13753309 0.73 POLB (0.65) POLBALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL9787811 0.73 POLB (0.65) POLBALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL11694716 0.73 POLB (0.65) POLBALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL11677768 0.71 POLB (0.74) POLBALDH1A1SMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216290-B 3-butyl-5, 5-dimethyl hydantoin imidazole quaternary ammonium salt and preparation method thereof 陕西科技大学 2021-03-16 — — CN claimed
CN-117285531-A Pteridine corrosion inhibitor and preparation method thereof 华电电力科学研究院有限公司 2023-12-26 — — CN disclosed
CN-107216290-B 3-butyl-5, 5-dimethyl hydantoin imidazole quaternary ammonium salt and preparation method thereof 陕西科技大学 2021-03-16 — — CN disclosed
CN-107216290-B 3-butyl-5, 5-dimethyl hydantoin imidazole quaternary ammonium salt and preparation method thereof 陕西科技大学 2021-03-16 — — CN disclosed
CN-107216290-B 3-butyl-5, 5-dimethyl hydantoin imidazole quaternary ammonium salt and preparation method thereof 陕西科技大学 2021-03-16 — — CN disclosed