SCHEMBL5049332

SCHEMBL5049332

COC(=O)c1sc2ccccc2c1CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 3/20 0.63
HSD17B10 Q99714 2/20 0.63
ATM Q13315 2/20 0.63
GAA P10253 2/20 0.63
MEN1 O00255 2/20 0.63
GLA P06280 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
L3MBTL1 Q9Y468 4/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CD274 Q9NZQ7 1/20 0.44
TP53 P04637 1/20 0.44
OGG1 O15527 1/20 0.44

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
SCHEMBL20839925 0.88 LMNA (0.65) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL1269967 0.86 LMNA (0.63) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL14780985 0.86 LMNA (0.63) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL4650805 0.80 LMNA (0.56) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL9495325 0.79 LMNA (1.00) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL31347574 0.79 MAPK1 (0.71) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL4651653 0.79 MAPK1 (0.71) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL1031488 0.79 LMNA (0.71) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL1805430 0.78 LMNA (0.69) LMNAMAPK1ALDH1A1MAPTKMT2A
SCHEMBL9025214 0.78 LMNA (0.69) LMNAMAPK1ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874755-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115835-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed