SCHEMBL7370829

SCHEMBL7370829

COc1ccccc1-n1nccc1-c1ccc(S(=O)(=O)c2ccccc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
NR1I2 O75469 2/20 0.41
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL7369553 0.82 HTT (0.47) NR3C2NR1I2GAAALDH1A1KDM4E
SCHEMBL27343295 0.81 CYP2C9 (0.45) NR3C2TP53TSHRNFKB1POLB
SCHEMBL7368928 0.79 NPC1 (0.37) NR3C2GAAHTR6ALDH1A1KDM4E
SCHEMBL7370147 0.78 PTGS1 (0.38) NR1I2GAAALDH1A1KDM4EHPGD
SCHEMBL7366842 0.73 NR3C2 (0.43) NR3C2KMT2ANPC1TP53MAPT
SCHEMBL6985834 0.73 ALDH1A1 (0.51) NR1I2GAAHTR6ALDH1A1KDM4E
SCHEMBL6983368 0.70 LMNA (0.38) NR1I2GFERALDH1A1MEN1KMT2A
SCHEMBL6988697 0.68 NR3C2 (0.43) NR3C2TP53NPSR1MAPK14
SCHEMBL6821442 0.68 HTR6 (0.37) NR1I2GAAHTR6ALDH1A1KDM4E
SCHEMBL6981888 0.68 PDE10A (0.46) NR3C2GAAALDH1A1MAPTPOLB

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