SCHEMBL17677487

SCHEMBL17677487

O=C=Nc1ccccc1COc1cc(Cl)c(O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.45
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
MCL1 Q07820 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
FABP4 P15090 2/20 0.35
FABP5 Q01469 2/20 0.35
FABP3 P05413 1/20 0.35
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A4 P31645 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL16273627 0.89 FFAR4 (0.41) MRGPRX4TP53HTTMAPTHDAC8
SCHEMBL16273628 0.89 MRGPRX4 (0.40) MRGPRX4TP53HTTMAPTHDAC8
SCHEMBL16273633 0.86 MRGPRX4 (0.46) MRGPRX4TP53HTTMAPTHDAC8
SCHEMBL17616620 0.85 MRGPRX4 (0.40) MRGPRX4TP53HTTMAPTHDAC8
SCHEMBL17616649 0.83 FFAR1 (0.39) MRGPRX4TP53HTTMAPTHDAC8
SCHEMBL17616598 0.81 FFAR4 (0.41) MRGPRX4TP53HTTMAPTHDAC8
SCHEMBL17616645 0.80 MRGPRX4 (0.45) MRGPRX4TP53HTTMAPTNPC1
SCHEMBL19987554 0.78 MRGPRX4 (0.41) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16273632 0.77 CYP3A4 (0.37) MRGPRX4MAPTRAB9AHPGDPTGDR2
SCHEMBL16273720 0.76 MRGPRX4 (0.75) MRGPRX4TP53HTTMCL1NPC1

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 4 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
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