SCHEMBL20195436

SCHEMBL20195436

Cc1cccc(-n2nn[nH]c2=O)c1COc1ccc(-c2ccccn2)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
CBFB Q13951 1/20 0.32
DHFR P00374 1/20 0.32
GRM5 P41594 2/20 0.32
GABRA5 P31644 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20195429 0.85 MGAT2 (0.33) GABRA5
SCHEMBL17796912 0.84 GRM5 (0.38) FLT3GSK3BCBFBGRM5GABRA5
SCHEMBL20195457 0.83 CA12 (0.34) GABRA5
SCHEMBL17614621 0.82 GABRA5 (0.36) GABRA5JAK1TYK2JAK3
SCHEMBL16437463 0.81 GRM5 (0.35) FLT3GSK3BCBFBGRM5GABRA5
SCHEMBL20195527 0.80 HCAR2 (0.33) DHFRGABRA5CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17788432 0.79 PRMT5 (0.35) FLT3GSK3BCBFBCYP3A4CYP2D6
SCHEMBL22038152 0.77 BTK (0.32)
SCHEMBL22037221 0.76 BTK (0.38) LMNAHTTSMN1; SMN2
SCHEMBL22038749 0.76 BTK (0.33)

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed