SCHEMBL22564366

SCHEMBL22564366

O=C(Br)c1cccc(OC(F)F)c1COc1ccn(S)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
KLKB1 P03952 2/20 0.33
ALDH1A1 P00352 6/20 0.32
LMNA P02545 5/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
NR1H4 Q96RI1 1/20 0.31
ALKBH1 Q13686 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL22563858 0.90 TAS2R14 (0.35) SMN1; SMN2KLKB1ALDH1A1LMNAHTT
SCHEMBL22564535 0.89 ROCK2 (0.34) SMN1; SMN2KLKB1ALDH1A1LMNAHTT
SCHEMBL22564212 0.89 IRAK4 (0.36) ALDH1A1LMNAMAPTTDP1HCRTR1
SCHEMBL18504984 0.88 SMN1; SMN2 (0.34) SMN1; SMN2KLKB1ALDH1A1LMNAHTT
SCHEMBL22563951 0.87 KLKB1 (0.36) SMN1; SMN2KLKB1ALDH1A1LMNAHTT
SCHEMBL22564099 0.87 ALDH1A1 (0.35) SMN1; SMN2KLKB1ALDH1A1LMNAHTT
SCHEMBL22564365 0.87 NR1H4 (0.30) NR1H4
SCHEMBL22564292 0.86 SMN1; SMN2 (0.36) SMN1; SMN2KLKB1ALDH1A1LMNAHTT
SCHEMBL22564307 0.85 NPC1 (0.36) SMN1; SMN2LMNAHTTMAPTMRGPRX4
SCHEMBL22564513 0.84 L3MBTL1 (0.37) LMNAHTTMAPTHCRTR1MRGPRX4

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