SCHEMBL29564282

SCHEMBL29564282

CC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C)C2=O)CC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.41
BRD4 O60885 1/20 0.38
RAD51 Q06609 1/20 0.35
HSD17B2 P37059 1/20 0.35
NT5E P21589 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL24329186 0.94 NT5E (0.37) NT5E
SCHEMBL24329761 0.89 FFAR1 (0.38) CHRNA7
SCHEMBL24329162 0.88 MAOA (0.39) ACHEMAOAMAOB
SCHEMBL24329141 0.88 ALDH1A1 (0.38) ACHEBRD4RAD51CHRNA7
SCHEMBL24328739 0.87 MAOA (0.40) RAD51MAOAMAOB
SCHEMBL24329753 0.87 NT5E (0.38) NT5EMAOB
SCHEMBL24329733 0.85 ACHE (0.44) ACHE
SCHEMBL24329668 0.82 RIPK1 (0.41) HSD17B2CHRNA7
SCHEMBL24329750 0.81 KDM4E (0.39)
SCHEMBL29564283 0.80 RIPK1 (0.36)

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
WO-2022080346-A1 NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF 国立大学法人佐賀大学 2022-04-21 WO disclosed