SCHEMBL19646215

SCHEMBL19646215

CCc1cccc(-n2nnn(C)c2=O)c1COc1cc(C)c(O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.36
PTGER1 P34995 3/20 0.33
P2RX7 Q99572 1/20 0.32
HSP90AA1 P07900 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR5 Q9H228 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
SCHEMBL19646149 0.92 MRGPRX4 (0.38) MRGPRX4PTGER1P2RX7S1PR5
SCHEMBL16920770 0.92 MRGPRX4 (0.35) MRGPRX4PTGER1P2RX7SMN1; SMN2
SCHEMBL19646241 0.91 MRGPRX4 (0.35) MRGPRX4MAPT
SCHEMBL19646106 0.91 MRGPRX4 (0.33) MRGPRX4PTGER1MAPTSMN1; SMN2
SCHEMBL19646111 0.91 HSP90AA1 (0.33) MRGPRX4HSP90AA1MAPT
SCHEMBL19646169 0.90 P2RX7 (0.34) MRGPRX4PTGER1P2RX7LMNAMAPT
SCHEMBL16920771 0.89 MRGPRX4 (0.36) MRGPRX4PTGER1P2RX7MAPTSMN1; SMN2
SCHEMBL19646189 0.89 MRGPRX4 (0.35) MRGPRX4PTGER1P2RX7HSP90AA1
SCHEMBL19646114 0.89 MRGPRX4 (0.33) MRGPRX4PTGER1P2RX7LMNASMN1; SMN2
SCHEMBL19646240 0.89 MAPT (0.37) PTGER1LMNAMAPT

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