SCHEMBL9116296

SCHEMBL9116296

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccccc1CSC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HCRTR2 O43614 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.34
FTO Q9C0B1 1/20 0.34
TDP2 O95551 2/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
ELANE P08246 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL6292089 0.88 TSHR (0.38) TSHRHCRTR2HSD17B10MAPTKDM4E
SCHEMBL7581819 0.87 MAPT (0.36) TSHRHSD17B10MAPTKDM4EMEN1
SCHEMBL8892752 0.87 ALDH1A1 (0.38) TSHRHCRTR2HSD17B10MAPTKDM4E
SCHEMBL8890586 0.86 ALDH1A1 (0.37) TSHRHCRTR2MAPTKDM4EHTT
SCHEMBL8747816 0.85 ELANE (0.42) TSHRHCRTR2HSD17B10MAPTKDM4E
SCHEMBL9113480 0.85 HCRTR2 (0.37) TSHRHCRTR2HSD17B10MAPTLMNA
SCHEMBL9115275 0.85 TSHR (0.36) TSHRHCRTR2HSD17B10MAPTKDM4E
SCHEMBL7573013 0.85 KDM4E (0.36) TSHRHCRTR2HSD17B10MAPTKDM4E
SCHEMBL9115212 0.84 TSHR (0.35) TSHRHCRTR2HSD17B10HTTALDH1A1
SCHEMBL8814625 0.84 TSHR (0.37) TSHRHCRTR2HSD17B10MAPTKDM4E

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
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed