SCHEMBL6464611

SCHEMBL6464611

CC(C)(Cl)C(SC(c1ccccc1)C(C)(C)Cl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SLC6A4 P31645 3/20 0.38
RIPK1 Q13546 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HBB P68871 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AOC3 Q16853 1/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 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
SCHEMBL6462736 0.77 SLC6A4 (0.40) SLC6A4RIPK1MEN1KMT2AHBB
SCHEMBL575475 0.71 MPO (0.40) TSHRTDP1ALDH1A1DPP4TAAR1
SCHEMBL30923543 0.71 SLC6A4 (0.45) TSHRSLC6A4RIPK1MEN1KMT2A
SCHEMBL27300404 0.71 TSHR (0.42) TSHRSLC6A4RIPK1SLC6A3TDP1
SCHEMBL27270815 0.70 DPP4 (0.46) TSHRSLC6A4ALDH1A1AOC3KDM4E
SCHEMBL10956757 0.69 IDO1 (0.41) TSHRSLC6A4MEN1KMT2ASLC6A3
SCHEMBL576245 0.68 POLB (0.37) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL1575568 0.65 TSHR (0.52) TSHRTDP1HRH1KDM4ELMNA
SCHEMBL28825921 0.65 ATM (0.49) SLC6A4RIPK1MEN1KMT2ALMNA
SCHEMBL6459735 0.65 ALDH1A1 (0.38) TSHRSLC6A4RIPK1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO disclosed