SCHEMBL23396146

SCHEMBL23396146

C=C/C=C(/C)SC(=C)c1cc(OC2CCN(C(=O)COC(C)(C)C)CC2)cc(C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
POLB P06746 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.31
SRD5A1 P18405 1/20 0.31
MAPT P10636 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
SRD5A2 P31213 1/20 0.31
CYP2C9 P11712 1/20 0.30
EPHX2 P34913 1/20 0.30
CYP2J2 P51589 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
SCHEMBL23395865 0.87 KMT2A (0.32) KMT2APOLBL3MBTL1
SCHEMBL23396016 0.86 CHEK2 (0.37) KMT2AMEN1SRD5A1SRD5A2EPHX2
SCHEMBL23396270 0.75 KMT2A (0.32) KMT2A
SCHEMBL23395884 0.74
SCHEMBL23396001 0.71
SCHEMBL23395912 0.68 EPHX2 (0.41) KMT2APOLBMEN1EPHX2
SCHEMBL23395958 0.68 TDP2 (0.30)
SCHEMBL23396015 0.68 CA12 (0.43) MAPT
SCHEMBL23395885 0.67 PLA2G2A (0.33) KMT2APOLBMEN1MAPT
SCHEMBL23395836 0.66

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
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed