SCHEMBL6984055

SCHEMBL6984055

COCN(COC)c1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
MDM2 Q00987 2/20 0.32
MCL1 Q07820 2/20 0.32
HSD11B1 P28845 1/20 0.32
BCL2 P10415 1/20 0.32
ATM Q13315 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6986812 0.80 ALDH1A1 (0.40) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6987355 0.79 ALDH1A1 (0.38) TSHRSMN1; SMN2ALDH1A1GAAMDM2
SCHEMBL6986371 0.77 ALDH1A1 (0.41) TSHRALDH1A1HTTGAAMDM2
SCHEMBL6987183 0.77 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1HTTMDM2
SCHEMBL6985846 0.77 BCL2 (0.41) TSHRSMN1; SMN2ALDH1A1HTTGAA
SCHEMBL6982469 0.76 CYP2C9 (0.39) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6987419 0.75 ALDH1A1 (0.43) TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL6983312 0.75 HTT (0.37) TSHRSMN1; SMN2ALDH1A1HTTATM
SCHEMBL6984423 0.74 ATM (0.38) ALDH1A1HTTATM
SCHEMBL6986605 0.74 HTT (0.48) TSHRSMN1; SMN2ALDH1A1HTTGAA

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