SCHEMBL22564531

SCHEMBL22564531

O=C(NCl)c1cccc(Cl)c1COc1ccn(S)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.38
NR1H4 Q96RI1 4/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22564525 0.91 SGMS2 (0.38) SGMS2NR1H4ITGB1ITGA4TDP1
SCHEMBL22564176 0.91 HDAC3 (0.41) SGMS2NR1H4ITGB1ITGA4TDP1
SCHEMBL22564137 0.87 SGMS2 (0.37) SGMS2TDP1ALDH1A1KMT2A
SCHEMBL22563950 0.87 SGMS2 (0.38) SGMS2NR1H4KDM4EALDH1A1HPGD
SCHEMBL22564163 0.87 KMT2A (0.32) NR1H4TDP1KDM4EALDH1A1KMT2A
SCHEMBL18505005 0.87 SGMS2 (0.39) SGMS2NR1H4ITGB1ITGA4TDP1
SCHEMBL22563912 0.87 NR1H4 (0.37) SGMS2NR1H4ITGB1ITGA4TDP1
SCHEMBL22564462 0.87 NR1H4 (0.42) SGMS2NR1H4TDP1ALDH1A1HTT
SCHEMBL22563972 0.87 NR1H4 (0.31) SGMS2NR1H4
SCHEMBL22563941 0.86 NR1H4 (0.31) SGMS2NR1H4

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