SCHEMBL22563877

SCHEMBL22563877

CC(C)c1cccc(C(=O)Br)c1COc1ccn(S)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL22564181 0.90 NR1H4 (0.41) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22564126 0.89 NR1H4 (0.36) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22563854 0.89 KLKB1 (0.32) NR1H4
SCHEMBL22564139 0.89 NR1H4 (0.35) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22564094 0.89 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22564477 0.88 KDM4E (0.38) NR1H4GABRA1GABRG2GABRB3
SCHEMBL18504998 0.87 NR1H4 (0.37) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22564030 0.87 NPC1 (0.35) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22564200 0.87 NR1H4 (0.34) NR1H4GABRA1GABRG2GABRB3
SCHEMBL22563916 0.86 TSHR (0.39)

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed