SCHEMBL6986938

SCHEMBL6986938

CC(C)n1nc(-c2cc(OCC(=O)N3CCOCC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
FKBP1A P62942 3/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 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 0.90 HTT (0.42) TSHRHTTTDP1ALDH1A1SMN1; SMN2
SCHEMBL6987595 0.90 TDP1 (0.42) HTTTDP1ALDH1A1SMN1; SMN2ADORA2B
SCHEMBL6983758 0.90 HTT (0.41) LMNATSHRHTTTDP1ALDH1A1
SCHEMBL6986605 0.84 HTT (0.48) TSHRHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL6988597 0.84 SIGMAR1 (0.53) ADORA1
SCHEMBL6987183 0.80 TSHR (0.45) TSHRHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL6988437 0.79 ALDH1A1 (0.45) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL6987611 0.79 SIGMAR1 (0.44)
SCHEMBL6987419 0.78 ALDH1A1 (0.43) TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL6990721 0.77 SIGMAR1 (0.46)

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