SCHEMBL18504945

SCHEMBL18504945

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.35
APEX1 P27695 1/20 0.32
MRGPRX4 Q96LA9 3/20 0.31
ALKBH1 Q13686 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 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
SCHEMBL18504993 0.89 NR1H4 (0.32) NR1H4
SCHEMBL18504726 0.89 PARP1 (0.33) NR1H4KDM4EKMT2A
SCHEMBL18504736 0.89 NR1H4 (0.32) NR1H4
SCHEMBL18504598 0.86 POLB (0.38) KDM4ETDP1ALDH1A1KMT2A
SCHEMBL18504768 0.86 NR1H4 (0.31) NR1H4
SCHEMBL18504646 0.86 PDE5A (0.35) KDM4E
SCHEMBL18504719 0.86
SCHEMBL18500074 0.85 TP53 (0.31) NR1H4TDP1
SCHEMBL18504577 0.85 ALDH1A1 (0.40) NR1H4APEX1MRGPRX4TDP1ALDH1A1
SCHEMBL18500953 0.85 ALKBH1 (0.40) NR1H4MRGPRX4ALKBH1TDP1ALDH1A1

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