SCHEMBL18504577

SCHEMBL18504577

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NR1H4 Q96RI1 4/20 0.35
PRNP P04156 1/20 0.34
FOLH1 Q04609 3/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APEX1 P27695 1/20 0.32
FABP4 P15090 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ELANE P08246 1/20 0.31
PTGER1 P34995 1/20 0.31
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
SCHEMBL18504497 0.90 ALDH1A1 (0.32) ALDH1A1NR1H4TDP1L3MBTL1ELANE
SCHEMBL18504291 0.89 NR1H4 (0.32) ALDH1A1NR1H4ELANE
SCHEMBL18504552 0.89 POLB (0.36) ALDH1A1MEN1KMT2A
SCHEMBL18504848 0.88 KMT2A (0.33) ALDH1A1NR1H4NPC1SMN1; SMN2TDP1
SCHEMBL18504583 0.88 ALDH1A1 (0.33) ALDH1A1NPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL18504651 0.86 KDM4E (0.42) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL18504975 0.86
SCHEMBL22564175 0.86 ALDH1A1 (0.39) ALDH1A1NR1H4PRNPFOLH1NPC1
SCHEMBL18504749 0.85 KMT2A (0.32) ALDH1A1NR1H4NPC1SMN1; SMN2MRGPRX4
SCHEMBL18500953 0.85 ALKBH1 (0.40) ALDH1A1NR1H4NPC1FABP4MRGPRX4

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