SCHEMBL16273633

SCHEMBL16273633

O=C=Nc1ccccc1COc1ccc(O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.46
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
HPGD P15428 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
CLCN2 P51788 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL17677487 0.86 MRGPRX4 (0.45) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17616645 0.86 MRGPRX4 (0.45) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16273619 0.84 FFAR4 (0.41) MRGPRX4FFAR4FFAR1
SCHEMBL16273623 0.84 ALDH1A1 (0.38) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16273629 0.84 GABRA1 (0.40) MAPTGAATHRBHPGD
SCHEMBL19987554 0.84 MRGPRX4 (0.41) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16273628 0.83 MRGPRX4 (0.40) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17616649 0.82 FFAR1 (0.39) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16273611 0.81 SLC6A4 (0.39) MRGPRX4FFAR4FFAR1
SCHEMBL17616620 0.81 MRGPRX4 (0.40) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2

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