SCHEMBL7364009

SCHEMBL7364009

COc1ccc(-c2nn3ccncc3c2-c2ccc(S(=O)(=O)c3ccccc3)nn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
PTGS2 P35354 7/20 0.35
PTGS1 P23219 4/20 0.35
KDM1A O60341 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NAMPT P43490 2/20 0.33
ABCB11 O95342 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL7367472 0.85 KDM4E (0.39) LMNAHTTKDM4EALDH1A1GAA
SCHEMBL7373754 0.84 IGF1R (0.39) PTGS2ABCB1ABCC1
SCHEMBL7364012 0.83 PTGS2 (0.35) LMNANPC1HTTPTGS2PTGS1
SCHEMBL6822095 0.77 MAPK14 (0.39) LMNAMAPTHTTPTGS2PTGS1
SCHEMBL6818747 0.75 AURKA (0.39) LMNATP53HTTKDM4EALDH1A1
SCHEMBL6822357 0.73 NPC1 (0.35) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6821442 0.72 HTR6 (0.37) LMNATP53MAPTNPC1HTT
SCHEMBL5671102 0.72 MAPK14 (0.50) LMNAPTGS2PTGS1KCNH2
SCHEMBL7296061 0.72 IGF1R (0.51) PTGS2
SCHEMBL5673928 0.71 MAPK14 (0.40) PTGS2PTGS1NAMPT

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