SCHEMBL18504541

SCHEMBL18504541

CCSc1cccc(-n2nn[nH]c2=O)c1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
BLM P54132 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HIF1A Q16665 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL18504329 0.87
SCHEMBL18500631 0.85 HCAR1 (0.33) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL18504489 0.81 MGLL (0.36) ALDH1A1MAPTHTR2CLMNATSHR
SCHEMBL18504519 0.77 DAO (0.34) ALDH1A1LMNATSHR
SCHEMBL18504482 0.77 NPSR1 (0.34) NPSR1ALDH1A1MAPTPPARGBLM
SCHEMBL18504538 0.77 DAO (0.38) HTR2CHTR2B
SCHEMBL18503916 0.77 MGLL (0.33)
SCHEMBL18504120 0.77 HCAR1 (0.30)
SCHEMBL18504908 0.77
SCHEMBL18503965 0.76 DAO (0.39) ALDH1A1MAPTLMNAMAPK1HTT

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