SCHEMBL6985834

SCHEMBL6985834

COc1cnn(-c2ccccc2)c1-c1ccc(S(=O)(=O)c2ccccc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HTT P42858 3/20 0.51
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTR6 P50406 1/20 0.39
NR1I2 O75469 1/20 0.39
TP53 P04637 1/20 0.37
AURKA O14965 1/20 0.37
HIF1A Q16665 2/20 0.37
ATM Q13315 1/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGDS O60760 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6983368 0.74 LMNA (0.38) ALDH1A1LMNANPSR1HTTNR1I2
SCHEMBL7370829 0.73 NR3C2 (0.44) ALDH1A1NPSR1GAAKDM4EHTR6
SCHEMBL7369553 0.73 HTT (0.47) ALDH1A1LMNANPSR1HTTGAA
SCHEMBL27343295 0.73 CYP2C9 (0.45) LMNANPSR1TP53POLBPKM
SCHEMBL6821442 0.70 HTR6 (0.37) ALDH1A1LMNANPSR1HTTGAA
SCHEMBL10354233 0.68 HTR6 (0.62) ALDH1A1KDM4EHTR6TP53PKM
SCHEMBL7370147 0.67 PTGS1 (0.38) ALDH1A1LMNANPSR1HTTGAA
SCHEMBL27968340 0.65 GAA (0.51) ALDH1A1LMNANPSR1HTTGAA
SCHEMBL28295008 0.65 ALDH1A1 (0.49) ALDH1A1LMNANPSR1HTTGAA
SCHEMBL6987779 0.64 ALDH1A1 (0.39) ALDH1A1LMNANPSR1HTTGAA

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed