SCHEMBL22258405

SCHEMBL22258405

CC(C)(C)SC(=O)N1CCC(NC(=O)c2n[nH]cc2NC(=O)NC2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.38
EPHX1 P07099 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
JAK2 O60674 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PKM P14618 1/20 0.35
KDM5A P29375 2/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL22236157 0.84 EPHX1 (0.53) EPHX1L3MBTL1CA12CA1CA2
SCHEMBL8215065 0.79 DYRK1A (0.41) EPHX2DYRK1APKMKDM4EALDH1A1
SCHEMBL1286744 0.79 DYRK1A (0.41) EPHX2DYRK1APKMKDM4EALDH1A1
SCHEMBL22236156 0.78 SMYD3 (0.36) EPHX2EPHX1L3MBTL1GSK3BDYRK1A
SCHEMBL22258241 0.77 EPHX1 (0.46) EPHX1GSK3BDYRK1APKMKDM4E
SCHEMBL24710064 0.73 CDK14 (0.49) GSK3BDYRK1A
SCHEMBL1286738 0.72 L3MBTL1 (0.35) EPHX2L3MBTL1GSK3BDYRK1APKM
SCHEMBL8222280 0.72 L3MBTL1 (0.35) EPHX2L3MBTL1GSK3BDYRK1APKM
SCHEMBL8219219 0.71 CCR8 (0.57) L3MBTL1PKMKDM4EALDH1A1LMNA
SCHEMBL8263051 0.71 CDK14 (0.52) L3MBTL1GSK3BDYRK1A

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
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed