SCHEMBL16273697

SCHEMBL16273697

Cc1cc(OCc2ccccc2N)c(C)c(F)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
MRGPRX4 Q96LA9 4/20 0.36
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
PARP10 Q53GL7 2/20 0.33

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
SCHEMBL17616641 0.87 MRGPRX4 (0.36) MRGPRX4MAPTLMNAPTGDR2KDM4E
SCHEMBL16273703 0.81 MRGPRX4 (0.37) PKMMRGPRX4MAPTLMNAKDM4E
SCHEMBL16273613 0.81 MRGPRX4 (0.52) MRGPRX4MAPTMEN1ALDH1A1TP53
SCHEMBL17616595 0.80 MRGPRX4 (0.47) MRGPRX4MAPTLMNAKDM4EALDH1A1
SCHEMBL16273626 0.79 MAOB (0.47) PKMMAPTLMNAMEN1ALDH1A1
SCHEMBL16273701 0.77 PTGDR2 (0.39) PKMMAPTPTGDR2KDM4EALDH1A1
SCHEMBL16273712 0.77 MRGPRX4 (0.40) PKMMRGPRX4MAPTLMNAPTGDR2
SCHEMBL17616634 0.76 ALDH1A1 (0.39) MAPTPTGDR2ALDH1A1NPSR1MCL1
SCHEMBL16273704 0.76 FFAR1 (0.34) PKMMRGPRX4MAPTLMNAKDM4E
SCHEMBL16273692 0.76 FFAR4 (0.43) MRGPRX4ESR2FFAR4CD274FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US 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