SCHEMBL5036040

SCHEMBL5036040

COc1ccc(CCN(C)C(=O)Oc2csc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)n2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
CDK8 P49336 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.38
HSP90AA1 P07900 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTGER1 P34995 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL14190180 0.88 CDK8 (0.44) LMNAMAPK1CDK8CLK4KMT2A
SCHEMBL5032631 0.88 CYP3A4 (0.37) LMNAMAPK1KMT2AMAPTHSP90AA1
SCHEMBL5032562 0.88 CRHBP (0.36) KMT2AHSP90AA1MEN1CYP3A4
SCHEMBL5039076 0.88 CYP3A4 (0.39) MAPK1KMT2AHSP90AA1NPC1GAA
SCHEMBL5034877 0.85 CYP3A4 (0.44) KMT2AMAPTNPC1MEN1CYP3A4
SCHEMBL5036077 0.85 CYP3A4 (0.42) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL5034908 0.83 CYP3A4 (0.43) KMT2AMAPTMEN1CYP3A4
SCHEMBL5041488 0.83 CYP3A4 (0.42) KMT2AMEN1CYP3A4
SCHEMBL5035949 0.83 CYP3A4 (0.42) LMNAKMT2AMAPTNPC1ALDH1A1
SCHEMBL5035010 0.83 CYP3A4 (0.39) MAPTNPC1ALDH1A1GAACYP3A4

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