SCHEMBL18504534

SCHEMBL18504534

O=c1[nH]nnn1-c1cccc(Br)c1I

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.33
MGLL Q99685 1/20 0.32
NOS1 P29475 1/20 0.31
AXL P30530 1/20 0.31
HCAR1 Q9BXC0 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
SCHEMBL18503916 0.84 MGLL (0.33) MGLLNOS1
SCHEMBL8160888 0.83 MGLL (0.43) FEN1MGLLHCAR1
SCHEMBL18504514 0.83 ERCC5 (0.33) FEN1MGLLNOS1HCAR1
SCHEMBL15351721 0.81 JAK2 (0.36) FEN1MGLLHCAR1
SCHEMBL18504488 0.81 MEN1 (0.35) FEN1MGLLHCAR1
SCHEMBL18504519 0.81 DAO (0.34) MGLLHCAR1
SCHEMBL20001711 0.80 FEN1 (0.32) FEN1MGLLNOS1AXL
SCHEMBL18504318 0.79 KCNN4 (0.32)
SCHEMBL18504489 0.79 MGLL (0.36) MGLLHCAR1
SCHEMBL20001772 0.79 CYP2A6 (0.33) FEN1MGLL

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