SCHEMBL20845283

SCHEMBL20845283

COc1cccc(N(N)C(=O)N(C)N)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
EDNRA P25101 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19527787 0.85 CTSD (0.41) CA12CA1CA2CA7CA9
SCHEMBL20686658 0.84 L3MBTL1 (0.40) ALDH1A1KDM4EMAPTTSHRMEN1
SCHEMBL22564438 0.83 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL22563829 0.82 NR1I2 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL20195397 0.81 ALDH1A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL18831413 0.80 ALDH1A1 (0.40) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL18831312 0.80 CTSD (0.44) CA12CA1CA2CA7CA9
SCHEMBL21317949 0.80 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL18831734 0.78 CA1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL18831349 0.78 HSD17B1 (0.41) ALDH1A1MAPTTSHRMEN1GAA

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 4 patents. 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
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed