SCHEMBL22564458

SCHEMBL22564458

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALKBH1 Q13686 2/20 0.34
NPC1 O15118 1/20 0.34
PTGER1 P34995 1/20 0.33
GUCY1B2 O75343 6/20 0.33
GUCY1A2 P33402 6/20 0.33
GUCY1A1 Q02108 6/20 0.33
GUCY1B1 Q02153 6/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SGMS2 Q8NHU3 1/20 0.32
RAB9A P51151 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL22564177 0.89 ALKBH1 (0.39) TDP1ALKBH1NPC1PTGER1ALDH1A1
SCHEMBL22564068 0.88 SGMS2 (0.35) TDP1ALKBH1NPC1PTGER1GUCY1B2
SCHEMBL22564082 0.88 ALDH1A1 (0.42) TDP1ALKBH1NPC1PTGER1ALDH1A1
SCHEMBL22564128 0.88 KLKB1 (0.37) TDP1ALKBH1
SCHEMBL18504735 0.86 TDP1 (0.36) TDP1ALKBH1NPC1PTGER1GUCY1B2
SCHEMBL22564350 0.86 NR1H4 (0.32) TDP1ALDH1A1L3MBTL1NR1H4
SCHEMBL22563954 0.86 KMT2A (0.42) TDP1NPC1ALDH1A1KMT2AATM
SCHEMBL22563884 0.86 FOLH1 (0.32) NR1H4
SCHEMBL22564169 0.86 HDAC1 (0.35) TDP1ALKBH1NPC1GUCY1B2GUCY1A2
SCHEMBL22564022 0.85 SLC22A12 (0.36) L3MBTL1SGMS2RAB9ANR1H4

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