SCHEMBL6986605

SCHEMBL6986605

CC(=O)COc1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 1/20 0.42
MDM2 Q00987 3/20 0.38
MCL1 Q07820 3/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.36
FABP3 P05413 2/20 0.36
BCL2 P10415 2/20 0.35

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
SCHEMBL6987183 0.87 TSHR (0.45) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6986523 0.87 HTT (0.42) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6987419 0.85 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6987595 0.85 TDP1 (0.42) HTTSMN1; SMN2ALDH1A1NPSR1KMT2A
SCHEMBL6983758 0.84 HTT (0.41) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6986938 0.84 LMNA (0.42) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6986812 0.83 ALDH1A1 (0.40) HTTSMN1; SMN2ALDH1A1NPSR1TSHR
SCHEMBL6987971 0.83 HTT (0.38) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6983312 0.82 HTT (0.37) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6985846 0.82 BCL2 (0.41) HTTSMN1; SMN2ALDH1A1NPSR1TSHR

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