SCHEMBL19646166

SCHEMBL19646166

CCOc1cccc(-n2nnn(C)c2=O)c1COc1cc(C)c(O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
APLNR P35414 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA2D1 P54289 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL19646109 0.92 ATP4A (0.34) MAPTHTTAPLNRMRGPRX4L3MBTL1
SCHEMBL16920790 0.92 MAPT (0.40) MAPTALDH1A1HTTAPLNRMRGPRX4
SCHEMBL19646169 0.91 P2RX7 (0.34) MAPTAPLNRMRGPRX4MAPK1LMNA
SCHEMBL19646168 0.91 BDKRB2 (0.34) MAPTALDH1A1HTTAPLNRMRGPRX4
SCHEMBL16442873 0.91 SLC22A12 (0.37) MAPTMRGPRX4CYP3A4CYP2C19SLC22A12
SCHEMBL19646111 0.90 HSP90AA1 (0.33) MAPTMRGPRX4HSP90AA1SLC22A12
SCHEMBL19646234 0.89 ATP4A (0.36) MAPTALDH1A1HTTAPLNRMRGPRX4
SCHEMBL18427410 0.88 RXRA (0.32) MRGPRX4
SCHEMBL18427524 0.88 BACE1 (0.33) MRGPRX4
SCHEMBL19646118 0.88 MRGPRX4 (0.35) MAPTMRGPRX4KMT2ASLC22A12

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-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed