SCHEMBL22563846

SCHEMBL22563846

Cn1nnn(-c2cccc(Br)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RPA1 P27694 1/20 0.40
NPBWR1 P48145 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
ALOX5 P09917 2/20 0.39
DCTPP1 Q9H773 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL16490947 0.84 GSK3A (0.37) GSK3AGSK3BMGLLALDH1A1MEN1
SCHEMBL18504503 0.81 CYP1A2 (0.56) MGLLALDH1A1RPA1NPBWR1CYP1A2
SCHEMBL18504499 0.81 IDO1 (0.49) MGLLALDH1A1MEN1KMT2APOLB
SCHEMBL18504528 0.80 FAAH (0.46) MGLLALDH1A1KMT2ACYP1A2POLB
SCHEMBL18503912 0.80 IDO1 (0.50) MGLLALDH1A1MEN1KMT2AALOX5
SCHEMBL1942309 0.80 ADRA2C (0.45) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL18504507 0.80 TP53 (0.40) GSK3AGSK3BALDH1A1KMT2ACYP1A2
SCHEMBL15790778 0.79 RAB9A (0.55) MGLLALDH1A1MEN1KMT2ANPBWR1
SCHEMBL8301872 0.78 ALDH1A1 (0.51) GSK3AGSK3BALDH1A1NFE2L2
SCHEMBL18500952 0.78 MGLL (0.51) MGLLALDH1A1KMT2ANPBWR1ALOX5

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