SCHEMBL7832884

SCHEMBL7832884

Cc1cc(C)nc(Oc2cc(-c3ccco3)nc3c(Br)cnn23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.50
▸ ALDH1A1 P00352 9/20 0.43
▸ KDM4E B2RXH2 8/20 0.43
▸ HPGD P15428 6/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ CASP1 P29466 4/20 0.43
▸ CASP7 P55210 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALOX15 P16050 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL7835695 0.85 GSK3B (0.48) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7832777 0.83 GSK3B (0.50) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7830317 0.80 GSK3B (0.48) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14043300 0.80 GSK3B (0.55) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7833011 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL7829836 0.80 GSK3B (0.47) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7832766 0.79 GSK3B (0.46) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7832024 0.79 GSK3B (0.46) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7833824 0.78 GSK3B (0.55) GSK3BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7829217 0.77 GSK3B (0.58) GSK3BALDH1A1KDM4EHPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 — — EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 — — US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 — — EP disclosed
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