SCHEMBL22038201

SCHEMBL22038201

Cc1cccc(N(C)N)c1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AOC3 Q16853 2/20 0.32
HTR1D P28221 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HTR7 P34969 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
MC4R P32245 1/20 0.31
SCN4A P35499 1/20 0.31
MC3R P41968 1/20 0.31
HTR3A P46098 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL8791509 0.84 GAA (0.40) GABRA1GABRG2GABRB3SIGMAR1ALDH1A1
SCHEMBL18831297 0.81 HTR1D (0.32) SIGMAR1ALDH1A1HTR1DTAAR1LMNA
SCHEMBL18831287 0.80 CD38 (0.32) GABRA1GABRG2GABRB3ALDH1A1TSHR
SCHEMBL22038203 0.79 AOC3 (0.45) GABRA1GABRG2GABRB3AOC3TAAR1
SCHEMBL22038789 0.78 GABRA1 (0.41) GABRA1GABRG2GABRB3SIGMAR1ALDH1A1
SCHEMBL19909901 0.78 AOC3 (0.31) ALDH1A1AOC3HTR1DTAAR1TSHR
Methane SCHEMBL23056921 0.77 AOC3 (0.30) AOC3
SCHEMBL22038200 0.77 AOC3 (0.40) ALDH1A1AOC3TSHRLMNAMAPT
SCHEMBL10561041 0.77 TRPM8 (0.40) ALDH1A1TSHRLMNAMAPTCYP3A4
SCHEMBL357603 0.76 GABRA1 (0.48) GABRA1GABRG2GABRB3ALDH1A1HTR1D

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 2 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-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed