SCHEMBL6599173

SCHEMBL6599173

CC(=O)C(Cl)c1csc2ccc(C)cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 11/20 0.39
TP53 P04637 6/20 0.39
THRB P10828 2/20 0.38
USP2 O75604 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
POLB P06746 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CMA1 P23946 1/20 0.34
ALOX5 P09917 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
SCHEMBL5763500 0.84 MTNR1A (0.51) CA2KEAP1NFE2L2MAPTTP53
SCHEMBL6984243 0.80 MTNR1A (0.43) CA2KEAP1NFE2L2LMNAPOLB
SCHEMBL16807809 0.75 LMNA (0.42) CA2MAPTTP53THRBUSP2
SCHEMBL6596799 0.74 CA2 (0.40) CA2KEAP1NFE2L2MAPTTP53
SCHEMBL6598255 0.72 MAPT (0.46) CA2MAPTTP53THRBUSP2
SCHEMBL1520186 0.72 KEAP1 (0.68) CA2KEAP1NFE2L2MAPTTP53
SCHEMBL13170125 0.72 LMNA (0.40) TP53LMNACYP2A6
SCHEMBL6064118 0.72 TDP1 (0.39) TP53LMNACYP2A6
SCHEMBL25463642 0.70 MAPT (0.39) CA2MAPTTP53THRBUSP2
SCHEMBL5267650 0.69 CSNK2A1 (0.47) CA2MAPTTP53THRBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP disclosed
EP-1337528-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2003-08-27 EP disclosed
WO-2002044170-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2002-06-06 WO disclosed