SCHEMBL18504502

SCHEMBL18504502

Cc1cccc(-n2nnn(C)c2=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
NFE2L2 Q16236 2/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CASP3 P42574 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
SCHEMBL18504531 0.85 MGLL (0.33) NFE2L2MGLLMEN1KMT2A
SCHEMBL18504500 0.84 DRD2 (0.33) ALDH1A1TSHRNFE2L2MGLLKDM4E
SCHEMBL16425569 0.83 OPRM1 (0.42) ALDH1A1TSHRLMNAL3MBTL1HTT
SCHEMBL15856642 0.83 ALDH1A1 (0.45) ALDH1A1TSHRMGLLKDM4EALOX15
SCHEMBL18500774 0.83 GSK3A (0.36) NFE2L2MGLL
SCHEMBL18503913 0.83 KCNN4 (0.33) ALDH1A1NFE2L2MGLLMEN1KMT2A
SCHEMBL18504899 0.81 KCNN4 (0.32) MGLL
SCHEMBL18500951 0.81 MGLL (0.37) TSHRMGLLLMNAMEN1KMT2A
SCHEMBL17271187 0.81 TDP1 (0.40) ALDH1A1TSHRKDM4EALOX15HSD17B10
SCHEMBL18546293 0.81 HCAR1 (0.42) ALDH1A1TSHRNFE2L2MGLLLMNA

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