SCHEMBL29589757

SCHEMBL29589757

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 10/20 0.42
▸ HSP90AA1 P07900 5/20 0.40
▸ HSP90AB1 P08238 3/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ BAD Q92934 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
SCHEMBL29589765 0.90 BCL2 (0.49) BCL2HSP90AA1HSP90AB1NAMPTHSP90B1
SCHEMBL29589723 0.86 BCL2 (0.52) BCL2CTSD
SCHEMBL29590949 0.85 NAMPT (0.42) BCL2HSP90AA1HSP90AB1NAMPTHSP90B1
SCHEMBL29590139 0.84 NR1H2 (0.56) BCL2HSP90AA1HSP90AB1NAMPT
SCHEMBL29590813 0.83 BCL2 (0.55) BCL2CTSDLIPE
SCHEMBL29589831 0.83 OPRM1 (0.43) BCL2HSP90AA1HSP90AB1NAMPTHSP90B1
SCHEMBL29589992 0.82 TMEM97 (0.53) BCL2
SCHEMBL29590466 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1NAMPT
SCHEMBL16416972 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1NAMPT
SCHEMBL29589684 0.81 BCL2 (0.51) BCL2HSP90AA1HSP90AB1NAMPTHSP90B1

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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