SCHEMBL22564079

SCHEMBL22564079

COc1cccc(Br)c1COc1ccn(S)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22564306 0.88 ALDH1A1 (0.32) HPGDMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL22564495 0.87
SCHEMBL22564086 0.86 MEN1 (0.33)
SCHEMBL22563898 0.86
SCHEMBL22564070 0.84 ALDH1A1 (0.37) HPGDMAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL22563897 0.84 ALDH1A1 (0.37) MAPTSMN1; SMN2LMNAADORA3ADORA2A
SCHEMBL22564014 0.84 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19
SCHEMBL22564455 0.84
SCHEMBL22564089 0.84
SCHEMBL22564015 0.83 L3MBTL1 (0.33) HPGDMAPTL3MBTL1SMN1; SMN2LMNA

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