SCHEMBL18504482

SCHEMBL18504482

CCSc1cccc(-n2nnn(C)c2=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
BLM P54132 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
HIF1A Q16665 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL18500390 0.88
SCHEMBL18504307 0.85 P2RX7 (0.32) NPSR1ALDH1A1PPARGNCOA2NCOA1
SCHEMBL18500951 0.80 MGLL (0.37) MAPTLMNATSHRTP53HTR2C
SCHEMBL18500636 0.80
SCHEMBL18504513 0.80 HCAR1 (0.36)
SCHEMBL18504531 0.78 MGLL (0.33)
SCHEMBL18504541 0.77 NPSR1 (0.33) NPSR1ALDH1A1MAPTPPARGBLM
SCHEMBL18504899 0.77 KCNN4 (0.32)
SCHEMBL18504500 0.77 DRD2 (0.33) ALDH1A1MAPTTSHR
SCHEMBL18504502 0.77 ALDH1A1 (0.34) ALDH1A1MAPTLMNATSHRMAPK1

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