SCHEMBL18504497

SCHEMBL18504497

O=C(Br)c1cccc(Br)c1COc1ccn(O)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
NR1H4 Q96RI1 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL18504577 0.90 ALDH1A1 (0.40) ALDH1A1NR1H4TDP1L3MBTL1ELANE
SCHEMBL18504552 0.89 POLB (0.36) ALDH1A1MEN1KMT2A
SCHEMBL18504291 0.89 NR1H4 (0.32) ALDH1A1NR1H4ELANE
SCHEMBL18504848 0.88 KMT2A (0.33) ALDH1A1NR1H4TDP1L3MBTL1KDM4E
SCHEMBL18504583 0.88 ALDH1A1 (0.33) ALDH1A1TDP1L3MBTL1KDM4EMEN1
SCHEMBL18504651 0.86 KDM4E (0.42) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL18504975 0.86
SCHEMBL18504735 0.86 TDP1 (0.36) ALDH1A1NR1H4TDP1L3MBTL1KMT2A
SCHEMBL18504736 0.86 NR1H4 (0.32) NR1H4
SCHEMBL18504720 0.86 SLC22A12 (0.36) NR1H4L3MBTL1

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