SCHEMBL5032620

SCHEMBL5032620

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(OC(=O)NCc3ccccc3)cs2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5035310 0.93 HPGD (0.40) HPGDMEN1KMT2AHSD17B10LMNA
SCHEMBL5041390 0.90 KMT2A (0.42) HPGDMEN1KMT2AHSD17B10TSHR
SCHEMBL5034854 0.87 HPGD (0.45) HPGDMEN1KMT2AHSD17B10LMNA
SCHEMBL5041310 0.83 CES2 (0.37) HPGDMEN1KMT2ALMNAKDM4E
SCHEMBL5035949 0.83 CYP3A4 (0.42) HPGDMEN1KMT2ATSHRLMNA
SCHEMBL5035948 0.83 CYP3A4 (0.40) HPGDMEN1KMT2AHSD17B10TSHR
SCHEMBL5034993 0.81 MEN1 (0.41) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL5032562 0.80 CRHBP (0.36) MEN1KMT2ATSHRCRHBPCRHR2
SCHEMBL5032631 0.80 CYP3A4 (0.37) MEN1KMT2ATSHRLMNAKDM4E
SCHEMBL5039110 0.80 CYP3A4 (0.42) MEN1KMT2APOLBKDM4EGAA

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