SCHEMBL6219590

SCHEMBL6219590

CCOC(=O)C1=C2SCNC2CC=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
FUCA1 P04066 2/20 0.33
PKM P14618 2/20 0.33
GLB1 P16278 1/20 0.33
ALDH1A1 P00352 6/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 1/20 0.33
CSNK1D P48730 1/20 0.32
ADORA2B P29275 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL819237 0.67 TSHR (0.50) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL6658826 0.67 TSHR (0.37) TSHRKMT2AMEN1FUCA1GLB1
SCHEMBL7999773 0.67 PLAT (0.37) TSHRKMT2AMEN1FUCA1GLB1
SCHEMBL818859 0.66 KDM4E (0.39) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL5332473 0.65 LMNA (0.35) TSHRKMT2AMEN1FUCA1GLB1
SCHEMBL21689051 0.64 KDM4E (0.43) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL12808756 0.61 MEN1 (0.43) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL817678 0.61 TSHR (0.43) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL19223084 0.60 LMNA (0.42) TSHRALDH1A1LMNAKDM4EGAA
SCHEMBL14085314 0.60 LMNA (0.39) TSHRKMT2AMEN1PKMALDH1A1

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-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed