SCHEMBL5332891

SCHEMBL5332891

CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.83
CREBBP Q92793 1/20 0.72
MAPT P10636 9/20 0.72
TP53 P04637 5/20 0.72
GAA P10253 3/20 0.72
LMNA P02545 2/20 0.72
POLB P06746 1/20 0.72
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 2/20 0.71
PKM P14618 1/20 0.71
SMN1; SMN2 Q16637 6/20 0.66
MAPK1 P28482 2/20 0.66
MC4R P32245 1/20 0.66
HTT P42858 1/20 0.66
CLK1 P49759 1/20 0.66
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 2/20 0.60

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
SCHEMBL5332873 0.93 PAX8 (0.85) PAX8CREBBPMAPTTP53GAA
SCHEMBL5328005 0.92 PAX8 (0.83) PAX8CREBBPMAPTTP53GAA
SCHEMBL31307883 0.91 PAX8 (0.81) PAX8CREBBPMAPTTP53GAA
SCHEMBL5327687 0.91 PAX8 (0.81) PAX8CREBBPMAPTTP53GAA
SCHEMBL5325640 0.91 PAX8 (0.85) PAX8CREBBPMAPTTP53GAA
SCHEMBL5322774 0.90 CREBBP (0.82) PAX8CREBBPMAPTTP53GAA
SCHEMBL4749256 0.90 PAX8 (0.68) PAX8CREBBPMAPTTP53GAA
SCHEMBL5331022 0.89 PAX8 (0.79) PAX8CREBBPMAPTTP53GAA
SCHEMBL23493756 0.87 PAX8 (0.75) PAX8CREBBPMAPTTP53GAA
SCHEMBL5329104 0.86 CREBBP (0.82) PAX8CREBBPMAPTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007139496-A1 QUINOLINE DERIVATIVES ACTING AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2007-12-06 WO disclosed