SCHEMBL5041390

SCHEMBL5041390

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(OC(=O)NCc3ccccc3C)cs2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
ANO2 Q9NQ90 1/20 0.38
EPHX2 P34913 1/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
PDE10A Q9Y233 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5032620 0.90 HPGD (0.39) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL5034680 0.88 MAPT (0.46) KMT2AMEN1LMNAPOLBANO1
SCHEMBL5035310 0.83 HPGD (0.40) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL5035948 0.82 CYP3A4 (0.40) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL5041310 0.81 CES2 (0.37) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL5035949 0.81 CYP3A4 (0.42) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL5034993 0.79 MEN1 (0.41) KMT2AMEN1LMNAEPHX2TSHR
SCHEMBL5032562 0.78 CRHBP (0.36) KMT2AMEN1TSHRCRHBPCRHR2
SCHEMBL5032631 0.78 CYP3A4 (0.37) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL5039110 0.78 CYP3A4 (0.42) KMT2AMEN1POLBMAPTKDM4E

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-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed