SCHEMBL3854496

SCHEMBL3854496

COC(=O)c1ccc(Cn2c(=O)cnn(-c3cc(NC(C)=O)ccc3O)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
P2RX3 P56373 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3581716 0.84 LMNA (0.43) MAPTLMNATP53P2RX3SMN1; SMN2
SCHEMBL3850211 0.77 NPC1 (0.48) MAPTLMNATP53P2RX3SMN1; SMN2
SCHEMBL3581997 0.74 SMN1; SMN2 (0.48) MAPTLMNAP2RX3SMN1; SMN2KMT2A
SCHEMBL17493135 0.74 BTK (0.41) MAPTLMNAP2RX3SMN1; SMN2MEN1
SCHEMBL3586397 0.71 P2RX3 (0.49) MAPTLMNATP53P2RX3SMN1; SMN2
SCHEMBL3584979 0.71 IDO1 (0.46) LMNAMEN1KMT2ANPSR1NPC1
SCHEMBL3581597 0.71 MAPT (0.46) MAPTLMNATP53P2RX3SMN1; SMN2
SCHEMBL3576887 0.71 RAB9A (0.43) MAPTLMNAP2RX3SMN1; SMN2MEN1
SCHEMBL3855261 0.70 NPC1 (0.52) MAPTLMNATP53P2RX3SMN1; SMN2
SCHEMBL3584780 0.69 NPBWR1 (0.46) LMNAP2RX3SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP disclosed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 WO disclosed