SCHEMBL6987419

SCHEMBL6987419

CCCOc1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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 0.91 TSHR (0.45) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6987971 0.89 HTT (0.38) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6987686 0.89 SIGMAR1 (0.45) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6983312 0.89 HTT (0.37) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6984423 0.88 ATM (0.38) ALDH1A1HTT
SCHEMBL6987611 0.88 SIGMAR1 (0.44)
SCHEMBL6990721 0.86 SIGMAR1 (0.46)
SCHEMBL6986812 0.85 ALDH1A1 (0.40) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6986605 0.85 HTT (0.48) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6982995 0.85 HRH3 (0.39)

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