SCHEMBL30130606

SCHEMBL30130606

C[C@@H](CO)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PDPK1 O15530 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CCNE2 O96020 1/20 0.51
▸ CCNE1 P24864 1/20 0.51
▸ CCNB2 O95067 4/20 0.48
▸ CDK1 P06493 4/20 0.48
▸ CCNB1 P14635 4/20 0.48
▸ CCNB3 Q8WWL7 4/20 0.48
▸ ABCC1 P33527 1/20 0.44
▸ ADK P55263 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL21884109 0.80 CCNE2 (0.48) HTTLMNAMAPTMAPK1GFER
SCHEMBL30476574 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL2317472 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL30013436 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL2359481 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL2317462 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL20895831 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL20895830 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL30130604 0.79 CCNE2 (0.48) LMNAMAPTMAPK1SMN1; SMN2PDPK1
SCHEMBL19278523 0.77 CDK2 (0.48) HTTLMNAMAPTMAPK1GFER

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-115176005-A Compositions and methods for treating hemoglobinopathies 诺华股份有限公司 2022-10-11 — — CN disclosed
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