SCHEMBL18504583

SCHEMBL18504583

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LIG1 P18858 1/20 0.33
PDE5A O76074 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
MMP3 P08254 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.32
MPO P05164 1/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.32
F2R P25116 1/20 0.32
SMPD1 P17405 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL18504848 0.93 KMT2A (0.33) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18504749 0.91 KMT2A (0.32) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18504497 0.88 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL18504577 0.88 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL18504646 0.87 PDE5A (0.35) KDM4ELIG1PDE5ASMN1; SMN2MMP3
SCHEMBL18504821 0.87 HDAC3 (0.41) ALDH1A1KDM4EMEN1KMT2ALIG1
SCHEMBL18504865 0.87 HDAC1 (0.36) MEN1KMT2ALIG1PDE5ANPC1
SCHEMBL18504787 0.87 HDAC3 (0.41) ALDH1A1KDM4EKMT2APDE5AHDAC8
SCHEMBL22564508 0.87 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2ALIG1
SCHEMBL18504651 0.87 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; 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 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