SCHEMBL18504538

SCHEMBL18504538

CCCc1cccc(-n2nn[nH]c2=O)c1I

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HSP90AA1 P07900 1/20 0.30
MGLL Q99685 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL18504489 0.90 MGLL (0.36) DAOHTR2AHTR2CHSP90AA1MGLL
SCHEMBL18504318 0.85 KCNN4 (0.32)
SCHEMBL8977216 0.79 MGLL (0.44) DAOHSP90AA1MGLL
SCHEMBL18504519 0.79 DAO (0.34) DAOHSP90AA1MGLL
SCHEMBL18503916 0.78 MGLL (0.33) MGLL
SCHEMBL18504541 0.77 NPSR1 (0.33) HTR2CHTR2B
SCHEMBL18503965 0.77 DAO (0.39) DAO
SCHEMBL18504514 0.77 ERCC5 (0.33) DAOHSP90AA1MGLL
SCHEMBL18504309 0.77 DAO (0.33) DAOMGLLNR1H2NR1H3
SCHEMBL18504534 0.76 FEN1 (0.33) MGLL

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