SCHEMBL19646111

SCHEMBL19646111

CCc1cccc(-n2nnn(C)c2=O)c1COc1cc(C)c(O)cc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
MRGPRX4 Q96LA9 3/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16920772 0.92 MAPT (0.33) ATP4AATP4BSLC22A12MRGPRX4MAPT
SCHEMBL19646215 0.91 MRGPRX4 (0.36) HSP90AA1MRGPRX4MAPT
SCHEMBL19646189 0.91 MRGPRX4 (0.35) HSP90AA1MRGPRX4
SCHEMBL16442873 0.91 SLC22A12 (0.37) SLC22A12MRGPRX4MAPTRAB9ANPSR1
SCHEMBL19646166 0.90 MAPT (0.35) HSP90AA1SLC22A12MRGPRX4MAPT
SCHEMBL15851202 0.89 ATP4A (0.38) HSP90AA1ATP4AATP4BMRGPRX4
SCHEMBL19646109 0.88 ATP4A (0.34) ATP4AATP4BSLC22A12MRGPRX4MAPT
SCHEMBL19646118 0.88 MRGPRX4 (0.35) SLC22A12MRGPRX4MAPTRAB9A
SCHEMBL17796288 0.88 ATM (0.36) MAPT
SCHEMBL19646153 0.88 PTGER1 (0.37) SLC22A12MRGPRX4MAPTRAB9A

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