SCHEMBL6931933

SCHEMBL6931933

CCc1cccnc1NCCOc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.56
RXRA P19793 2/20 0.55
CYP3A4 P08684 2/20 0.55
MPC2 O95563 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
FFAR1 O14842 5/20 0.50
RARG P13631 1/20 0.50
PPARA Q07869 2/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL68421 0.89 PPARG (0.56) PPARGRXRACYP3A4FFAR1RARG
SCHEMBL1848812 0.84 PPARG (0.60) PPARGRXRACYP3A4FFAR1RARG
SCHEMBL6402925 0.83 PPARG (0.66) PPARGRXRACYP3A4MPC2CYP2C8
SCHEMBL1162551 0.83 PPARG (0.66) PPARGRXRACYP3A4MPC2CYP2C8
SCHEMBL1220651 0.83 PPARG (0.66) PPARGRXRACYP3A4MPC2CYP2C8
Hydrochloric Acid SCHEMBL1162764 0.82 PPARG (0.66) PPARGRXRACYP3A4MPC2CYP2C8
SCHEMBL3117517 0.81 PPARG (0.62) PPARGRXRACYP3A4FFAR1RARG
SCHEMBL15184857 0.80 PPARG (0.58) PPARGRXRACYP3A4MPC2CYP2C8
SCHEMBL3900454 0.78 FFAR1 (0.62) PPARGRXRACYP3A4MPC2CYP2C8
SCHEMBL20138268 0.78 PPARG (0.66) PPARGRXRACYP3A4MPC2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024027-A1 5(4-(2-(n-methyl-n-(2-pyridyl)amino)ethoxy)benzyl)thiazolidine-2,4-dione hydriodide as pharmaceutical SMITHKLINE BEECHAM PLC (GB) 2004-02-05 US disclosed