SCHEMBL7546756

SCHEMBL7546756

CCC(=O)c1csc2ccc(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
MAPT P10636 11/20 0.43
TP53 P04637 7/20 0.43
THRB P10828 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
MTNR1A P48039 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5267998 0.86 LMNA (0.54) CA2MAPTTP53THRBUSP2
SCHEMBL6596793 0.83 LMNA (0.41) CA2MAPTTP53THRBUSP2
SCHEMBL7495653 0.83 KEAP1 (0.54) CA2MAPTHSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL5267650 0.81 CSNK2A1 (0.47) CA2MAPTTP53THRBUSP2
SCHEMBL6598255 0.81 MAPT (0.46) CA2MAPTTP53THRBUSP2
SCHEMBL20893351 0.81 MAPT (0.48) CA2MAPTTP53POLBALDH1A1
SCHEMBL7540393 0.78 HDAC3 (0.57) MAPTTP53POLBALDH1A1LMNA
SCHEMBL25464445 0.77 CA2 (0.47) CA2MAPTTP53THRBUSP2
SCHEMBL14395851 0.76 MAPT (0.42) CA2MAPTTP53THRBUSP2
SCHEMBL11258847 0.74 MAPT (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187836-A1 SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2002-03-20 EP disclosed
WO-2000071548-A1 SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2000-11-30 WO disclosed