SCHEMBL29933840

SCHEMBL29933840

NC(=O)N1CCOCC1c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.41
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
HSD11B1 P28845 1/20 0.38
HHAT Q5VTY9 1/20 0.38
NUDT1 P36639 1/20 0.37
CPT1A P50416 1/20 0.37
CASP1 P29466 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
NPC1 O15118 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
SCHEMBL38659451 0.80 HSD11B1 (0.51) RIPK1ALDH1A1MAPK1HSD11B1NUDT1
SCHEMBL8296762 0.80 HSD11B1 (0.51) RIPK1ALDH1A1MAPK1HSD11B1NUDT1
SCHEMBL29679482 0.80 GPR119 (0.46) PIK3C3RIPK1ALDH1A1HSD11B1PRMT5
SCHEMBL12944620 0.80 BACE1 (0.51) PIK3C3RIPK1MAPK1HTTUSP19
SCHEMBL31430923 0.79 PRMT5 (0.55) RIPK1ALDH1A1MAPK1HSD11B1NUDT1
SCHEMBL29504572 0.79 PRMT5 (0.55) RIPK1ALDH1A1MAPK1HSD11B1NUDT1
SCHEMBL31364807 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1CPT1AHTT
SCHEMBL30499343 0.77 RIPK1 (0.42) RIPK1ALDH1A1KDM4EHSD17B10HHAT
SCHEMBL30398913 0.77 CDK5 (0.40) RIPK1ALDH1A1HSD11B1HHATCASP1
SCHEMBL5321655 0.77 RIPK1 (0.40) RIPK1KDM4EHSD17B10HHAT

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-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed