SCHEMBL29922845

SCHEMBL29922845

COc1ccc(Cn2nn[nH]c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.51
NPBWR1 P48145 5/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
TOP2A P11388 1/20 0.47
MCHR1 Q99705 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8745820 0.83 GAA (0.55) CMA1NPBWR1GSK3AGSK3BALDH1A1
SCHEMBL20599778 0.79 DAO (0.36) ALDH1A1MEN1KMT2APKM
SCHEMBL5906391 0.79 PKM (0.46) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL5905968 0.78 IDO1 (0.49) CMA1GSK3AGSK3BALDH1A1MEN1
SCHEMBL18462111 0.75 NPBWR1 (0.52) CMA1NPBWR1GSK3AGSK3BALDH1A1
SCHEMBL5906079 0.75 HTR2C (0.46) NPBWR1ALDH1A1KDM4E
SCHEMBL7984884 0.74 LMNA (0.48) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL30166346 0.74 CMA1 (0.50) CMA1NPBWR1GSK3AGSK3BALDH1A1
SCHEMBL16854856 0.73 NPBWR1 (0.57) CMA1NPBWR1GSK3AGSK3BALDH1A1
SCHEMBL8598461 0.72 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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
CN-113301901-B Tetrazolinone substituted steroids and uses thereof 北京轩义医药科技有限公司 2022-09-09 CN disclosed