SCHEMBL29589765

SCHEMBL29589765

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 4/20 0.49
▸ NR1H2 P55055 1/20 0.46
▸ NAMPT P43490 3/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSP90AA1 P07900 5/20 0.43
▸ HSP90AB1 P08238 3/20 0.43
▸ HSP90B1 P14625 1/20 0.42

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
SCHEMBL29590139 0.94 NR1H2 (0.56) BCL2NR1H2NAMPTESR2MAPK1
SCHEMBL29589757 0.90 BCL2 (0.42) BCL2NAMPTHSP90AA1HSP90AB1HSP90B1
SCHEMBL29589723 0.87 BCL2 (0.52) BCL2
SCHEMBL28739679 0.84 BCL2 (0.53) BCL2NR1H2NAMPTHDAC1MAPK1
SCHEMBL29590813 0.84 BCL2 (0.55) BCL2
SCHEMBL29589928 0.84 BCL2 (0.53) BCL2NR1H2NAMPTHDAC1MAPK1
SCHEMBL29589831 0.84 OPRM1 (0.43) BCL2NAMPTHSP90AA1HSP90AB1HSP90B1
SCHEMBL29590949 0.84 NAMPT (0.42) BCL2NAMPTHSP90AA1HSP90AB1HSP90B1
SCHEMBL29589992 0.83 TMEM97 (0.53) BCL2
SCHEMBL29589684 0.82 BCL2 (0.51) BCL2NAMPTHSP90AA1HSP90AB1HSP90B1

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-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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