SCHEMBL6987971

SCHEMBL6987971

CC(C)n1nc(-c2cc(OCCc3ccccc3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.89 ALDH1A1 (0.43) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6987183 0.87 TSHR (0.45) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6983312 0.87 HTT (0.37) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6984423 0.86 ATM (0.38) HTTALDH1A1
SCHEMBL6987611 0.86 SIGMAR1 (0.44)
SCHEMBL6987686 0.85 SIGMAR1 (0.45) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6990721 0.84 SIGMAR1 (0.46)
SCHEMBL6982869 0.84 PKM (0.40) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6986812 0.83 ALDH1A1 (0.40) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6986605 0.83 HTT (0.48) HTTTSHRALDH1A1SMN1; SMN2

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