SCHEMBL5035237

SCHEMBL5035237

CC(CCc1ccccc1)NC(=O)Oc1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SRC P12931 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL14190178 0.88 POLB (0.52) POLBATML3MBTL1LMNAHTT
SCHEMBL5039076 0.82 CYP3A4 (0.39) GAATP53MEN1KMT2ASRC
SCHEMBL5039110 0.79 CYP3A4 (0.42) POLBL3MBTL1GAAMEN1KMT2A
SCHEMBL5032620 0.77 HPGD (0.39) POLBLMNAHTTGAATP53
SCHEMBL5041330 0.76 CYP3A4 (0.44) POLBLMNAMEN1KMT2AMAPT
SCHEMBL5036060 0.76 CYP3A4 (0.43) L3MBTL1KMT2AMAPTCYP3A4SMN1; SMN2
SCHEMBL5039137 0.76 POLB (0.40) POLBHTTMEN1KMT2AMAPT
SCHEMBL5032567 0.76 CYP3A4 (0.49) L3MBTL1GAAKMT2AMAPTCYP3A4
SCHEMBL5035128 0.75 C5AR1 (0.41) GAATP53MEN1KMT2ASRC
SCHEMBL5035268 0.74 LIPE (0.47) POLBGAAKMT2ACYP3A4HPGD

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