SCHEMBL22563767

SCHEMBL22563767

NNC(=O)N(N)c1cccc(Cl)c1COc1ccn(-c2ccc(Br)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
SIGMAR1 Q99720 9/20 0.33
KCNH2 Q12809 1/20 0.33
ENPP2 Q13822 1/20 0.31
KMT2A Q03164 2/20 0.31
UBE2N P61088 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22563955 0.91 UBE2N (0.40) NR1H4ALDH1A1CYP1A2CYP3A4SIGMAR1
SCHEMBL19909882 0.89 NR1H4 (0.33) NR1H4ALDH1A1CYP1A2CYP3A4CA12
SCHEMBL22563771 0.88 NR1H4 (0.33) NR1H4ALDH1A1CYP1A2CYP3A4CA12
SCHEMBL22564110 0.87 ALDH1A1 (0.41) NR1H4ALDH1A1CYP1A2CYP3A4SIGMAR1
SCHEMBL22563990 0.86 NR1H4 (0.30) NR1H4SIGMAR1KCNH2
SCHEMBL20902007 0.83 ALDH1A1 (0.41) NR1H4ALDH1A1CYP1A2CYP3A4SIGMAR1
SCHEMBL22564385 0.83 ALDH1A1 (0.35) NR1H4ALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL22563894 0.83 L3MBTL1 (0.35) NR1H4ALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL22563975 0.82 CA12 (0.35) NR1H4ALDH1A1CA12CA1CA2
SCHEMBL22564115 0.82 NR1H4 (0.36) NR1H4ALDH1A1KMT2ASMN1; 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
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed