SCHEMBL7832766

SCHEMBL7832766

Clc1ccc(Oc2cc(-c3ccco3)nc3c(Br)cnn23)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.46
▸ HPGD P15428 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX15 P16050 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ GLA P06280 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
SCHEMBL7829836 0.91 GSK3B (0.47) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7830317 0.87 GSK3B (0.48) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7832024 0.85 GSK3B (0.46) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7832777 0.81 GSK3B (0.50) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7831991 0.80 GSK3B (0.50) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7835695 0.79 GSK3B (0.48) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7832884 0.79 GSK3B (0.50) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL12953212 0.78 GSK3B (0.58) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL7833824 0.74 GSK3B (0.55) GSK3BHPGDKMT2APOLBTSHR
SCHEMBL14043300 0.74 GSK3B (0.55) GSK3BHPGDKMT2APOLBTSHR

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
Send feedback