SCHEMBL17677486

SCHEMBL17677486

COc1c(/C=N/O)c(-c2ccc(OCc3ccccc3N3NNN(C)C3=O)c(C)c2)nn1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 5/20 0.31
HPGD P15428 4/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16273750 0.84 SMN1; SMN2 (0.34) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL17677461 0.84 HPGD (0.34) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL16910890 0.76 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1
SCHEMBL16910891 0.76 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1
SCHEMBL16920760 0.76 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1
SCHEMBL17600113 0.74 KDM4E (0.34) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL17226730 0.72 HIF1A (0.39) KMT2AKDM4EALDH1A1
SCHEMBL18831331 0.71 CYP1A2 (0.32)
SCHEMBL17600071 0.71 PTGER1 (0.35) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL17600282 0.70 KDM4E (0.34) SMN1; SMN2KMT2AMEN1KDM4EHPGD

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
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed