SCHEMBL6986523

SCHEMBL6986523

CC(=O)N1CCN(C(=O)COc2cc(-c3ccc(=O)n(C(C)C)n3)n(-c3ccccc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ADORA2B P29275 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA1 P30542 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6987595 0.93 TDP1 (0.42) HTTTDP1SMN1; SMN2ALDH1A1ADORA2B
SCHEMBL6983758 0.90 HTT (0.41) HTTTDP1SMN1; SMN2ALDH1A1ADORA2B
SCHEMBL6986938 0.90 LMNA (0.42) HTTTDP1SMN1; SMN2ALDH1A1ADORA2B
SCHEMBL6986605 0.87 HTT (0.48) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6986113 0.83 AGTR2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7141579 0.83 CACNB4 (0.47) TSHR
SCHEMBL6986647 0.81 MGLL (0.50)
SCHEMBL6987183 0.81 TSHR (0.45) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6987611 0.79 SIGMAR1 (0.44) SIGMAR1
SCHEMBL6987419 0.79 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1TSHR

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