SCHEMBL22564070

SCHEMBL22564070

COc1cccc(Cl)c1COc1ccn(S)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PLA2G1B P04054 1/20 0.37
POLB P06746 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MC4R P32245 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL22564063 0.88 ALDH1A1 (0.37) ALDH1A1L3MBTL1POLBSMN1; SMN2PKM
SCHEMBL22564493 0.87 SMN1; SMN2 (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL22564313 0.86 NR1H4 (0.36) POLBSMN1; SMN2MC4RPKM
SCHEMBL22563879 0.86 SMN1; SMN2 (0.35) MAPTSMN1; SMN2PKMHTT
SCHEMBL22563897 0.84 ALDH1A1 (0.37) ALDH1A1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL22564079 0.84 HTR2A (0.32) MAPTL3MBTL1SMN1; SMN2LMNACYP1A2
SCHEMBL18504690 0.84 SMN1; SMN2 (0.38) ALDH1A1MAPTL3MBTL1PLA2G1BPOLB
SCHEMBL22564056 0.84 SMN1; SMN2 (0.38) MAPTSMN1; SMN2PKMLMNACYP1A2
SCHEMBL22564001 0.84 SMN1; SMN2 (0.34) SMN1; SMN2PKM
SCHEMBL22564031 0.84 S1PR1 (0.36) MAPTL3MBTL1SMN1; SMN2PKMCYP1A2

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