SCHEMBL6982519

SCHEMBL6982519

CC(C)n1nc(-c2cc(OCCC3CCCCC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL6982995 0.99 HRH3 (0.39) HRH3
SCHEMBL6987419 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6987526 0.84 SIGMAR1 (0.47)
SCHEMBL6990721 0.83 SIGMAR1 (0.46)
SCHEMBL6987611 0.83 SIGMAR1 (0.44)
SCHEMBL6987971 0.82 HTT (0.38) ALDH1A1
SCHEMBL6987183 0.82 TSHR (0.45) ALDH1A1
SCHEMBL6983312 0.82 HTT (0.37) ALDH1A1
SCHEMBL6984423 0.81 ATM (0.38) ALDH1A1
SCHEMBL6987686 0.80 SIGMAR1 (0.45) ALDH1A1

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