SCHEMBL8306758

SCHEMBL8306758

Cn1cc(-n2nn[nH]c2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL8603979 0.71 PFKFB3 (0.31)
SCHEMBL5906191 0.69 ALDH1A1 (0.42)
SCHEMBL8599564 0.69 HSP90AA1 (0.39)
SCHEMBL23564961 0.69 HTT (0.42) PRMT5WDR77AURKATTKAURKB
SCHEMBL4672478 0.68 GAA (0.43) AURKA
SCHEMBL29923173 0.68 ROCK2 (0.31)
SCHEMBL3532877 0.68 TDP1 (0.50) KDM5BHCAR2
SCHEMBL8307507 0.68 PRMT5 (0.33) PRMT5WDR77
SCHEMBL8303900 0.68 MAPT (0.36) PRMT5WDR77
SCHEMBL8308632 0.68

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
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
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed