SCHEMBL18796144

SCHEMBL18796144

CCO/C(C)=N/OCC(=O)NCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ HTT P42858 4/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ WRN Q14191 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL16533055 0.94 GSK3A (0.41) GSK3AGSK3BHTTLMNASMN1; SMN2
SCHEMBL15362286 0.94 GSK3A (0.41) GSK3AGSK3BHTTLMNASMN1; SMN2
SCHEMBL17831028 0.72 HTT (0.34) HTTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL10032059 0.71 SPR (0.42) GSK3AGSK3BHTTLMNASMN1; SMN2
SCHEMBL515802 0.70 GSK3A (0.36) GSK3AGSK3BHTTALDH1A1HPGD
SCHEMBL10067032 0.70 GSK3A (0.36) GSK3AGSK3BHTTALDH1A1HPGD
SCHEMBL15235369 0.69 MTNR1A (0.53) GSK3AGSK3BHTTLMNASMN1; SMN2
SCHEMBL16772157 0.69 MGLL (0.36) HTTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12590044 0.69 AKT1 (0.39) GSK3AGSK3BHTTLMNASMN1; SMN2
SCHEMBL26707222 0.69 AKT1 (0.41) GSK3AGSK3BHTTLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368557-A1 NEW POLYPEPTIDE Affibody AB (SE) 2018-09-05 — — EP disclosed
WO-2017072273-A1 NEW POLYPEPTIDE AFFIBODY AB (SE) 2017-05-04 — — WO disclosed
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