SCHEMBL29226248

SCHEMBL29226248

COc1ccc(N2CCN(C)C(CO)C2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPC6 Q9Y210 3/20 0.40
▸ DPP4 P27487 3/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL30900288 1.00 MEN1 (0.41) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL30825164 0.86 CHRM4 (0.37) MAPTSMN1; SMN2TRPC6CCR1
SCHEMBL29226259 0.86 CHRM4 (0.37) MAPTSMN1; SMN2TRPC6CCR1
SCHEMBL30900298 0.85 TRPC6 (0.42) TRPC6DPP4CCR1ALDH1A1SUV39H2
SCHEMBL29226353 0.85 TRPC6 (0.42) TRPC6DPP4CCR1ALDH1A1SUV39H2
SCHEMBL29226650 0.79 NR1H2 (0.48) TRPC6CCR1SUV39H2
SCHEMBL30900349 0.77 TRPC6 (0.39) MAPTLMNASMN1; SMN2TRPC6DPP4
SCHEMBL29227012 0.77 TRPC6 (0.39) MAPTLMNASMN1; SMN2TRPC6DPP4
SCHEMBL30900316 0.77 SUV39H2 (0.50) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL29226271 0.77 SUV39H2 (0.50) MEN1KMT2AMAPTMAPK1LMNA

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-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 — — CN disclosed
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