SCHEMBL7366842

SCHEMBL7366842

O=S(=O)(c1ccccc1)c1ccc(-c2ccnn2-c2cccc(F)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.43
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK14 Q16539 2/20 0.36
CYP2C9 P11712 1/20 0.36
NT5E P21589 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
NFE2L2 Q16236 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.33
POLB P06746 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
SCHEMBL27343295 0.88 CYP2C9 (0.45) NR3C2LMNANPSR1CYP2C9TP53
SCHEMBL7370147 0.84 PTGS1 (0.38) LMNANPSR1THRB
SCHEMBL7368928 0.83 NPC1 (0.37) NR3C2LMNANPSR1KDM5AKDM4C
SCHEMBL7369553 0.78 HTT (0.47) NR3C2LMNANPSR1CYP2C9MAPT
SCHEMBL7370829 0.73 NR3C2 (0.44) NR3C2NPSR1MAPK14TP53MAPT
SCHEMBL6983368 0.68 LMNA (0.38) LMNANPSR1CYP2C9TP53MAPT
SCHEMBL7366907 0.67 CA12 (0.51)
SCHEMBL10354233 0.67 HTR6 (0.62) TP53TDP1
SCHEMBL27323821 0.64 POLB (0.43) NR3C2LMNACYP2C9MAPTNPC1
SCHEMBL17086646 0.64 MAPK14 (0.53) NR3C2LMNAMAPK14NT5EKDM5A

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