SCHEMBL6981020

SCHEMBL6981020

Cc1ccc(SSS)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP3A4 P08684 1/20 0.56
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.42
KAT2B Q92831 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2749806 0.89 TSHR (0.64) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL1996019 0.86 TSHR (0.60) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL2749808 0.86 TSHR (0.60) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL8442593 0.81 TXNRD1 (0.68) TSHRMAPTALDH1A1LMNATXNRD1
SCHEMBL7597811 0.80 TSHR (0.62) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL19759816 0.76 MAPK1 (0.56) TSHRCYP3A4MAPTALDH1A1LMNA
SCHEMBL282648 0.76 TSHR (0.56) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL2959825 0.76 MAPT (0.71) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL2963606 0.76 MAPT (0.55) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL21445768 0.75 TSHR (0.55) TSHRCYP3A4SLC6A2SLC6A4SLC6A3

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-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO disclosed