SCHEMBL22564099

SCHEMBL22564099

O=C(NO)c1cccc(OC(F)F)c1COc1ccn(S)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
LMNA P02545 7/20 0.35
HTT P42858 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
KLKB1 P03952 1/20 0.34
LIG1 P18858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALPL P05186 1/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
ADAM17 P78536 1/20 0.32
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL22564292 0.91 SMN1; SMN2 (0.36) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL22564541 0.90 KCNK3 (0.35) ALDH1A1LMNAMAPTTDP1LIG1
SCHEMBL18504470 0.88 SMN1; SMN2 (0.35) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL22563858 0.88 TAS2R14 (0.35) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL22563951 0.88 KLKB1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL22564311 0.87 LIG1 (0.35) LIG1NPC1HDAC6
SCHEMBL22564535 0.87 ROCK2 (0.34) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL22564366 0.87 SMN1; SMN2 (0.34) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL22564309 0.86 NPC1 (0.37) LMNASMN1; SMN2LIG1NPC1RAB9A
SCHEMBL22564308 0.85 HDAC6 (0.39) LMNALIG1KDM4EP2RX7HDAC6

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