SCHEMBL1720334

SCHEMBL1720334

O=C(O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)O)c(O)c3)cc2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
PTGS2 P35354 4/20 0.54
PTGS1 P23219 3/20 0.54
PTPN1 P18031 3/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
CA1 P00915 4/20 0.49
ALDH1A1 P00352 3/20 0.48
CA12 O43570 1/20 0.48
TSHR P16473 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
ESR2 Q92731 1/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL7827463 0.95 CA2 (0.62) CA2PTGS2PTGS1PTPN1EGFR
SCHEMBL7827465 0.95 CA2 (0.62) CA2PTGS2PTGS1PTPN1EGFR
SCHEMBL7823200 0.92 CA2 (0.49) CA2PTGS2PTGS1PTPN1EGFR
SCHEMBL7823202 0.92 CA2 (0.49) CA2PTGS2PTGS1PTPN1EGFR
SCHEMBL7829424 0.89 ALDH1A1 (0.58) CA2PTGS2PTGS1CA1ALDH1A1
SCHEMBL7829422 0.89 ALDH1A1 (0.58) CA2PTGS2PTGS1CA1ALDH1A1
SCHEMBL7814593 0.85 ALDH1A1 (0.52) ALDH1A1TSHRMAPTKDM4ECYP3A4
SCHEMBL7814591 0.85 ALDH1A1 (0.52) ALDH1A1TSHRMAPTKDM4ECYP3A4
SCHEMBL22502063 0.84 ALDH1A1 (0.53) CA2PTPN1EGFRLCKCA1
SCHEMBL7821779 0.82 PIM1 (0.53) PTGS2PTGS1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306386-A1 YEAST SCREENS FOR TREATMENT OF HUMAN DISEASE THE UNIVERSITY OF CHICAGO (US) 2017-10-26 US disclosed
US-20130005608-A1 YEAST SCREENS FOR TREATMENT OF HUMAN DISEASE THE UNIVERSITY OF CHICAGO (US) 2013-01-03 US disclosed
EP-1392849-B2 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING UNIV CHICAGO (US) 2012-01-18 EP disclosed
EP-2319936-A2 Yeast screens for agents affecting protein folding The University of Chicago (US) 2011-05-11 EP disclosed
EP-1392849-B1 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING UNIV CHICAGO (US) 2008-01-02 EP disclosed
EP-1793001-A2 Yeast screens for agents affecting protein folding The University of Chicago (US) 2007-06-06 EP disclosed
EP-1392849-A2 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING THE UNIVERSITY OF CHICAGO (US) 2004-03-03 EP disclosed
WO-2002065136-A2 YEAST SCREENS FOR AGENTS AFFECTING PROTEIN FOLDING UNIVERSITY OF CHICAGO (US) 2002-08-22 WO disclosed