SCHEMBL22563889

SCHEMBL22563889

CCOc1cccc(N(N)C(=O)NN)c1I

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 2/20 0.38
HCRTR1 O43613 2/20 0.38
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 4/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL22563819 0.86 OGG1 (0.33) KMT2AGAAMAPTALDH1A1MEN1
SCHEMBL18831735 0.85 GLA (0.39) KMT2AL3MBTL1GLAGAAHCRTR1
SCHEMBL22563814 0.85 CTSD (0.43) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL22563992 0.81 IRAK4 (0.40) GAALMNAALDH1A1KDM4E
SCHEMBL22563824 0.78 SMN1; SMN2 (0.37) KMT2AL3MBTL1GAAMAPTLMNA
SCHEMBL22563994 0.77 MAPT (0.33) KMT2AGAAMAPTMAPK1LMNA
SCHEMBL22564246 0.77 DAO (0.31) GAAHCRTR1MAPTALDH1A1
SCHEMBL22564226 0.76 ALDH1A1 (0.43) KMT2AL3MBTL1GLAGAAMAPT
SCHEMBL22563812 0.76 HPGD (0.35) L3MBTL1MAPTMAPK1LMNAALDH1A1
SCHEMBL22563922 0.74

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