SCHEMBL29226271

SCHEMBL29226271

COc1ccc(N2CCNC(CO)C2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 3/20 0.50
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ DPP4 P27487 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ ACVR1 Q04771 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL30900316 1.00 SUV39H2 (0.50) SUV39H2CHRNB2CHRNA4MEN1KMT2A
SCHEMBL30900401 0.85 SUV39H2 (0.40) SUV39H2ADRB1
SCHEMBL29226291 0.85 SUV39H2 (0.40) SUV39H2ADRB1
SCHEMBL2873572 0.83 SUV39H2 (0.60) SUV39H2ADRB1ACVR1TGFBR1
SCHEMBL13024356 0.83 SUV39H2 (0.60) SUV39H2ADRB1ACVR1TGFBR1
SCHEMBL29104071 0.77 ADRB1 (0.45) SUV39H2CHRNB2CHRNA4ADRB1
SCHEMBL29104004 0.77 ADRB1 (0.45) SUV39H2CHRNB2CHRNA4ADRB1
SCHEMBL29104008 0.77 ADRB1 (0.45) SUV39H2CHRNB2CHRNA4ADRB1
SCHEMBL30900288 0.77 MEN1 (0.41) SUV39H2MEN1KMT2ALMNADPP4
SCHEMBL29226248 0.77 MEN1 (0.41) SUV39H2MEN1KMT2ALMNADPP4

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
Send feedback