SCHEMBL18831734

SCHEMBL18831734

COc1cccc(N(C)N)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 1/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL7713608 0.83 APP (0.44) CA1CA2CA7CA9CA12
SCHEMBL18884315 0.81 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL18831350 0.79 ALDH1A1 (0.44) ALDH1A1TDP1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL16815790 0.79 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL20342742 0.78 TLR2 (0.39) CA1CA2CA7CA9CA12
SCHEMBL20845283 0.78 CA12 (0.40) CA1CA2CA7CA9CA12
SCHEMBL146841 0.75 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL6192249 0.74 KMT2A (0.47) ALDH1A1TP53KDM4ELMNAHPGD
SCHEMBL22038200 0.74 AOC3 (0.40) CA1CA2CA7CA9CA12
SCHEMBL18831567 0.74 AOC3 (0.40) CA1CA2CA7CA9CA12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
EP-3025584-B1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL CO (JP) 2018-02-28 EP disclosed
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed