SCHEMBL29564756

SCHEMBL29564756

CN1C(=O)C(=C2CC(c3ccc(F)cc3)NN2)C(=O)N(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
HSD17B2 P37059 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
GSK3B P49841 1/20 0.31
BACE1 P56817 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
GAA P10253 1/20 0.30
ALPL P05186 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
SCHEMBL29564321 0.88 TP53 (0.34) MEN1KMT2AATMLMNAGAA
SCHEMBL29565262 0.86 ALDH1A1 (0.36) TDP1HSD17B2MEN1KMT2ATSHR
SCHEMBL24328743 0.86 BRD4 (0.42) HSD17B2MEN1KMT2AATMTSHR
SCHEMBL24329754 0.85 BRD4 (0.42) HSD17B2KMT2ATSHRMAOBGSK3B
SCHEMBL24329099 0.84 KMT2A (0.40) MEN1KMT2ALMNAGAA
SCHEMBL24329187 0.81 KCNH2 (0.38) TDP1KMT2ALMNA
SCHEMBL24328744 0.80 MEN1 (0.39) MEN1KMT2A
SCHEMBL24329755 0.78
SCHEMBL24329174 0.71 HTR2A (0.34) TSHRGAA
SCHEMBL24329753 0.71 NT5E (0.38) TDP1MAOB

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