SCHEMBL16273650

SCHEMBL16273650

O=c1[nH]nnn1-c1ccccc1COc1cc(Cl)c(O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.40
HSP90AA1 P07900 4/20 0.37
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.34
COMT P21964 1/20 0.34
PTGER1 P34995 1/20 0.34
MCL1 Q07820 1/20 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
SCHEMBL16273658 0.91 HSP90AA1 (0.38) MRGPRX4HSP90AA1TP53HTTKDM4E
SCHEMBL16273648 0.91 HSP90AA1 (0.37) MRGPRX4HSP90AA1HDAC8KDM4EPTGER1
SCHEMBL16273647 0.88 MRGPRX4 (0.40) MRGPRX4HSP90AA1TP53HTTKDM4E
SCHEMBL17616610 0.87 MEN1 (0.35) MRGPRX4HSP90AA1TP53HTTHDAC8
SCHEMBL17616573 0.86 FFAR1 (0.34) MRGPRX4HSP90AA1TP53HDAC8KDM4E
SCHEMBL17616596 0.83 FFAR1 (0.36) MRGPRX4HSP90AA1TP53HTTKDM4E
SCHEMBL17616571 0.83 MRGPRX4 (0.40) MRGPRX4TP53HTTKDM4EPTGER1
SCHEMBL16273759 0.80 MRGPRX4 (0.42) MRGPRX4TP53HTTHDAC8KDM4E
SCHEMBL16273645 0.80 HSP90AA1 (0.39) HSP90AA1COMT
SCHEMBL16273754 0.79 HSP90AA1 (0.44) HSP90AA1PTGER1

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 3 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
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