SCHEMBL7366863

SCHEMBL7366863

COc1ccccc1C#Cc1ccc(S(=O)(=O)c2ccccc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
GRM5 P41594 2/20 0.44
FFAR1 O14842 1/20 0.38
SLC16A3 O15427 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KCNH2 Q12809 1/20 0.36
GFER P55789 1/20 0.35
AKR1B1 P15121 1/20 0.35
NR1I2 O75469 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7449426 0.88 HTR6 (0.40) HTR6GRM5SLC16A3MAPTTP53
SCHEMBL7366843 0.80 GRM5 (0.40) HTR6GRM5TP53GAAHPGD
SCHEMBL7446863 0.80 HAO1 (0.40) HTR6GRM5MAPTTP53KDM4E
SCHEMBL7370542 0.79 CA12 (0.54) GRM5FFAR1
SCHEMBL6134300 0.78 GRM5 (0.47) HTR6GRM5AKR1B1
SCHEMBL7364220 0.76 HTR2A (0.40) HTR6MAPTPTGDR2KCNH2AKR1B1
SCHEMBL7367382 0.75 CA12 (0.43) GRM5GAAKCNH2AKR1B1
SCHEMBL7368039 0.75 GRM5 (0.41) HTR6GRM5MAPTKCNH2AKR1B1
SCHEMBL7439517 0.74 HAO1 (0.40) GRM5KDM4EGAANR1I2PKM
SCHEMBL7366907 0.72 CA12 (0.51) GRM5

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-1244669-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
WO-2001040230-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed