SCHEMBL6987183

SCHEMBL6987183

CCOc1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 2/20 0.40
MCL1 Q07820 2/20 0.40
BCL2 P10415 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MPO P05164 1/20 0.37
MGLL Q99685 1/20 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
SCHEMBL6987419 0.91 ALDH1A1 (0.43) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6986812 0.87 ALDH1A1 (0.40) TSHRALDH1A1NPSR1HTTMDM2
SCHEMBL6986605 0.87 HTT (0.48) TSHRALDH1A1NPSR1HTTMDM2
SCHEMBL6987971 0.87 HTT (0.38) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6987686 0.87 SIGMAR1 (0.45) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6983312 0.86 HTT (0.37) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6985846 0.86 BCL2 (0.41) TSHRALDH1A1NPSR1HTTMDM2
SCHEMBL6982869 0.85 PKM (0.40) TSHRALDH1A1NPSR1HTTMDM2
SCHEMBL6987611 0.85 SIGMAR1 (0.44)
SCHEMBL6984423 0.85 ATM (0.38) ALDH1A1HTT

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