SCHEMBL22788944

SCHEMBL22788944

CNC(=O)CCC(C=O)N1Cc2c(S)cccc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL24160595 0.86 KDM4E (0.34) KDM4EGAACA12CA2POLB
SCHEMBL22521042 0.85 VHL (0.32) KDM4EGAA
SCHEMBL24159937 0.85 ALDH1A1 (0.32) KDM4EGAAALOX15MALT1
SCHEMBL23739482 0.85 MTNR1A (0.34) KDM4EGAAALOX15
SCHEMBL24159953 0.84 KDM4E (0.31) KDM4EGAAALOX15THRB
SCHEMBL22789129 0.83 KDM4E (0.32) KDM4EGAAPOLBALOX15THRB
SCHEMBL22789062 0.83 CDC25B (0.33) KDM4EGAAPOLBALOX15THRB
SCHEMBL23739531 0.83 MTNR1A (0.39) NAMPT
SCHEMBL23298785 0.83 CDC25B (0.38) KDM4EGAAPOLBALOX15MEN1
SCHEMBL24160586 0.82 KDM4E (0.31) KDM4EALOX15

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-3932922-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF ShanghaiTech University (CN) 2022-01-05 — — EP disclosed
WO-2020249048-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2020-12-17 — — WO disclosed
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