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Sugi Predict / Compounds / SCHEMBL6983312

SCHEMBL6983312

SCHEMBL6983312

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL6984423 0.95 ATM (0.38) HTTALDH1A1ATM
SCHEMBL6987686 0.90 SIGMAR1 (0.45) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6987419 0.89 ALDH1A1 (0.43) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6987971 0.87 HTT (0.38) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6987183 0.86 TSHR (0.45) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6987611 0.85 SIGMAR1 (0.44) —
SCHEMBL6990721 0.83 SIGMAR1 (0.46) —
SCHEMBL6986812 0.82 ALDH1A1 (0.40) HTTTSHRALDH1A1SMN1; SMN2ATM
SCHEMBL6986605 0.82 HTT (0.48) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6982995 0.82 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