SCHEMBL16273658

SCHEMBL16273658

Cc1cc(O)c(Cl)cc1OCc1ccccc1-n1nn[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGER1 P34995 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
COMT P21964 2/20 0.32

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
SCHEMBL16273650 0.91 MRGPRX4 (0.40) HSP90AA1KDM4EPTGER1MRGPRX4TP53
SCHEMBL17616596 0.91 FFAR1 (0.36) HSP90AA1FFAR1FFAR4PTGDR2KDM4E
SCHEMBL16273645 0.91 HSP90AA1 (0.39) HSP90AA1FFAR1FFAR4PTGDR2COMT
SCHEMBL16273648 0.88 HSP90AA1 (0.37) HSP90AA1FFAR1FFAR4PTGDR2KDM4E
SCHEMBL16273757 0.88 HSP90AA1 (0.37) HSP90AA1MRGPRX4
SCHEMBL17616610 0.86 MEN1 (0.35) HSP90AA1FFAR1FFAR4PTGDR2KDM4E
SCHEMBL17616600 0.86 MAPT (0.34) HSP90AA1FFAR1FFAR4PTGDR2HTT
SCHEMBL17616573 0.85 FFAR1 (0.34) HSP90AA1FFAR1FFAR4PTGDR2KDM4E
SCHEMBL16273646 0.85 HSP90AA1 (0.42) HSP90AA1FFAR1FFAR4MRGPRX4
SCHEMBL16273647 0.83 MRGPRX4 (0.40) HSP90AA1KDM4EMRGPRX4TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO disclosed