SCHEMBL18504466

SCHEMBL18504466

C=C(C)c1cccc(C(=O)NO)c1COc1ccn(O)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.34
PDE5A O76074 1/20 0.34
MMP3 P08254 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MPO P05164 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL18504746 0.90 NR1H4 (0.31) NR1H4
SCHEMBL22564206 0.88 LIG1 (0.33) LIG1PDE5AMMP3HDAC8
SCHEMBL18504956 0.87 KDM4E (0.36) KDM4ESMN1; SMN2
SCHEMBL18504644 0.87 NR1H4 (0.36) NR1H4KDM4E
SCHEMBL18504725 0.86 NR1H4 (0.33) NR1H4
SCHEMBL18504745 0.86 PARP1 (0.32) HDAC8NR1H4HDAC11KDM4ESMN1; SMN2
SCHEMBL18504739 0.86 NR1H4 (0.33) NR1H4
SCHEMBL18504821 0.86 HDAC3 (0.41) LIG1PDE5AMMP3HDAC8KDM4E
SCHEMBL18504857 0.85 PDE5A (0.34) LIG1PDE5AMMP3HDAC8NR1H4
SCHEMBL18504583 0.85 ALDH1A1 (0.33) LIG1PDE5AMMP3HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed