SCHEMBL29590949

SCHEMBL29590949

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSP90B1 P14625 4/20 0.41
▸ TRAP1 Q12931 3/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ BCL2 P10415 2/20 0.41
▸ BAD Q92934 1/20 0.41
▸ HSP90AA1 P07900 3/20 0.41
▸ HSP90AB1 P08238 3/20 0.41
▸ PREP P48147 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CFTR P13569 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40

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
SCHEMBL29590466 0.93 HSP90AA1 (0.47) NAMPTLMNAHSP90AA1HSP90AB1MEN1
SCHEMBL16416972 0.93 HSP90AA1 (0.47) NAMPTLMNAHSP90AA1HSP90AB1MEN1
SCHEMBL29589831 0.88 OPRM1 (0.43) NAMPTLMNAPKMHSP90B1TRAP1
SCHEMBL29589684 0.86 BCL2 (0.51) NAMPTLMNAPKMHSP90B1OPRM1
SCHEMBL29589757 0.85 BCL2 (0.42) NAMPTHSP90B1BCL2BADHSP90AA1
SCHEMBL29589723 0.84 BCL2 (0.52) BCL2MEN1GAAMAPTKMT2A
SCHEMBL29589765 0.84 BCL2 (0.49) NAMPTHSP90B1BCL2HSP90AA1HSP90AB1
SCHEMBL29590775 0.84 HSP90AA1 (0.47) NAMPTLMNAHSP90AA1HSP90AB1MEN1
SCHEMBL29589890 0.83 NAMPT (0.59) NAMPTLMNAPKMBCL2
SCHEMBL29591015 0.82 BCL2 (0.53) BCL2BAD

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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