SCHEMBL29589723

SCHEMBL29589723

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)Oc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 17/20 0.52
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTSD P07339 1/20 0.41

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
SCHEMBL29589794 0.94 BCL2 (0.57) BCL2
SCHEMBL29590813 0.93 BCL2 (0.55) BCL2CTSD
SCHEMBL29589765 0.87 BCL2 (0.49) BCL2
SCHEMBL29589933 0.86 BCL2 (0.54) BCL2
SCHEMBL29589757 0.86 BCL2 (0.42) BCL2CTSD
SCHEMBL29589992 0.85 TMEM97 (0.53) BCL2
SCHEMBL29590949 0.84 NAMPT (0.42) BCL2GAAMEN1MAPTKMT2A
SCHEMBL29589831 0.84 OPRM1 (0.43) BCL2CTSD
SCHEMBL29589684 0.82 BCL2 (0.51) BCL2
SCHEMBL29589890 0.81 NAMPT (0.59) BCL2

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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