SCHEMBL6598255

SCHEMBL6598255

CC(=O)c1csc2ccc(C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.46
THRB P10828 2/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 6/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL5267650 0.86 CSNK2A1 (0.47) MAPTTHRBUSP2KDM4EHSD17B10
SCHEMBL6230805 0.82 CYP2A6 (0.53) MAPTTP53CA2ALDH1A1LMNA
SCHEMBL7546756 0.81 CA2 (0.43) MAPTTHRBUSP2HSD17B10TP53
SCHEMBL25464445 0.81 CA2 (0.47) MAPTTHRBUSP2HSD17B10TP53
SCHEMBL8561828 0.81 MTNR1A (0.54) MAPTTHRBTP53CA2LMNA
SCHEMBL8290149 0.81 CYP2A6 (0.56) MAPTCA2MAOBCYP2A6
SCHEMBL5267998 0.80 LMNA (0.54) MAPTTHRBUSP2TP53CA2
SCHEMBL14395851 0.80 MAPT (0.42) MAPTTHRBUSP2TP53CA2
SCHEMBL20893351 0.79 MAPT (0.48) MAPTKDM4EHSD17B10TP53CA2
SCHEMBL8555827 0.78 MTNR1A (0.56) MAPTKDM4EALDH1A1LMNAMAOB

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-1008594-B1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA LAB (ES) 2004-03-17 EP disclosed
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US disclosed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP disclosed