SCHEMBL18504540

SCHEMBL18504540

CC(C)c1cccc(-n2nn[nH]c2=O)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
DAO P14920 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 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
SCHEMBL18504144 0.86 KCNN4 (0.31)
SCHEMBL18504519 0.81 DAO (0.34) MGLLDAOHCAR1ALDH1A1TSHR
SCHEMBL18503916 0.80 MGLL (0.33) MGLL
SCHEMBL9728104 0.80 DAO (0.40) FAAHMGLLDAOALDH1A1CYP1A2
SCHEMBL18504315 0.80 ADRA1D (0.34) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL18504514 0.79 ERCC5 (0.33) MGLLDAOHCAR1
SCHEMBL18504489 0.78 MGLL (0.36) MGLLDAOHCAR1ALDH1A1HPGD
SCHEMBL18504488 0.78 MEN1 (0.35) MGLLDAOHCAR1ALDH1A1HPGD
SCHEMBL18504534 0.78 FEN1 (0.33) MGLLHCAR1
SCHEMBL18504141 0.77 MGLL (0.36) MGLLDAOHCAR1ALDH1A1HPGD

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