SCHEMBL16273612

SCHEMBL16273612

Cc1c(OCc2ccccc2N=C=O)ccc(O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MRGPRX4 Q96LA9 5/20 0.36
FFAR4 Q5NUL3 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PTGER1 P34995 1/20 0.32
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL17616650 0.88 MRGPRX4 (0.44) CYP3A4MRGPRX4FFAR4MAPTTDP1
SCHEMBL17806117 0.81 CYP3A4 (0.40) CYP3A4MRGPRX4FFAR4MAPTTDP1
SCHEMBL16273615 0.80 MRGPRX4 (0.39) CYP3A4MRGPRX4FFAR4MAPTSMN1; SMN2
SCHEMBL16273619 0.79 FFAR4 (0.41) CYP3A4MRGPRX4FFAR4
SCHEMBL16273632 0.78 CYP3A4 (0.37) CYP3A4MRGPRX4FFAR4MAPTTDP1
SCHEMBL16273703 0.77 MRGPRX4 (0.37) MRGPRX4FFAR4MAPTCYP2C9CYP2C19
SCHEMBL17616590 0.76 MRGPRX4 (0.39) CYP3A4MRGPRX4FFAR4MAPTTDP1
SCHEMBL16273652 0.76 TP53 (0.53) MRGPRX4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL16273629 0.76 GABRA1 (0.40) CYP3A4MAPTTDP1L3MBTL1PKM
SCHEMBL17806116 0.75 CYP3A4 (0.41) CYP3A4MRGPRX4FFAR4TDP1ALDH1A1

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