SCHEMBL23974602

SCHEMBL23974602

Cn1c(=O)n(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.58
POLB P06746 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MAPT P10636 3/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HIF1A Q16665 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
THRB P10828 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BRAF P15056 1/20 0.50
PIK3CG P48736 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL23974799 0.89 HPGD (0.56) LGMNPOLBMAPTALDH1A1HPGD
SCHEMBL23974795 0.89 HPGD (0.56) LGMNPOLBMAPTALDH1A1HPGD
SCHEMBL23974605 0.87 HPGD (0.57) LGMNPOLBMAPTALDH1A1HPGD
SCHEMBL3940708 0.82 HPGD (0.64) LGMNPOLBMEN1KMT2ACTDSP1
SCHEMBL10394509 0.75 MAPK1 (0.73) POLBMEN1KMT2ACTDSP1MAPT
SCHEMBL17165784 0.75 POLB (0.69) POLBMEN1KMT2ACTDSP1MAPT
SCHEMBL23974900 0.75 ADORA3 (0.52) LGMNPOLBMEN1KMT2ACTDSP1
SCHEMBL25210999 0.75 ALDH1A1 (0.76) POLBMEN1KMT2ACTDSP1MAPT
SCHEMBL19555085 0.74 MAPK8 (0.66) MAPTADORA3ADORA2BTP53
SCHEMBL4226113 0.74 LGMN (0.48) LGMNPOLBMEN1KMT2ACTDSP1

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
US-20210344045-A1 Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-04 US disclosed