SCHEMBL28464030

SCHEMBL28464030

CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ GLS O94925 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL29560480 1.00 JAK2 (0.43) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL29560115 0.92 MEN1 (0.45) SUV39H2MEN1KMT2ACA2
SCHEMBL31045300 0.87 JAK2 (0.44) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL31045429 0.86 JAK2 (0.43) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL22690412 0.85 MMP8 (0.44) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL22690408 0.85 MMP8 (0.44) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL29560688 0.84 JAK2 (0.41) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL18245320 0.83 MAPT (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL25291368 0.82 RAD51 (0.45) JAK2SUV39H2MEN1KMT2AMMP8
SCHEMBL22690914 0.82 RAD51 (0.45) JAK2SUV39H2MEN1KMT2AMMP8

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-111620861-A BCL-XL inhibitory compound having low cell permeability and antibody drug conjugate including the same 艾伯维公司 2020-09-04 — — CN disclosed
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