SCHEMBL6987595

SCHEMBL6987595

CC(C)n1nc(-c2cc(OCC(=O)N3CCN(C)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ADORA2B P29275 3/20 0.42
ADORA1 P30542 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6986523 0.93 HTT (0.42) TDP1L3MBTL1HTTADORA2BADORA1
SCHEMBL6986938 0.90 LMNA (0.42) TDP1L3MBTL1HTTADORA2BADORA1
SCHEMBL6983758 0.90 HTT (0.41) TDP1L3MBTL1HTTADORA2BADORA1
SCHEMBL6986605 0.85 HTT (0.48) HTTSMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL6987611 0.81 SIGMAR1 (0.44)
SCHEMBL6986823 0.81 MGLL (0.60) SMN1; SMN2ALDH1A1KDM4EMGLL
SCHEMBL6987183 0.81 TSHR (0.45) HTTSMN1; SMN2ALDH1A1NPSR1MGLL
SCHEMBL6990721 0.80 SIGMAR1 (0.46) KCNH2
SCHEMBL6987526 0.79 SIGMAR1 (0.47) KCNH2
SCHEMBL6987419 0.79 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1

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