SCHEMBL22564525

SCHEMBL22564525

O=C(NBr)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 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
EGFR P00533 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
SCHEMBL22564531 0.91 SGMS2 (0.38) SGMS2NR1H4HTTKDM4EALDH1A1
SCHEMBL22564176 0.91 HDAC3 (0.41) SGMS2NR1H4HTTKDM4EALDH1A1
SCHEMBL22563927 0.88 NR1H4 (0.38) SGMS2NR1H4ALDH1A1TDP1KMT2A
SCHEMBL18504406 0.87 SGMS2 (0.39) SGMS2NR1H4HTTKDM4EALDH1A1
SCHEMBL22564164 0.87 ALDH1A1 (0.33) NR1H4KDM4EALDH1A1TDP1KMT2A
SCHEMBL22564462 0.87 NR1H4 (0.42) SGMS2NR1H4HTTALDH1A1TDP1
SCHEMBL22563912 0.87 NR1H4 (0.37) SGMS2NR1H4ALDH1A1ITGB1ITGA4
SCHEMBL22563974 0.86 SGMS2 (0.38) SGMS2NR1H4HTTHPGDPOLB
SCHEMBL22564068 0.86 SGMS2 (0.35) SGMS2HTTALDH1A1HPGDTDP1
SCHEMBL22564186 0.86 KMT2A (0.40) SGMS2NR1H4HTTKDM4EALDH1A1

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