SCHEMBL8698243

SCHEMBL8698243

[CH2]c1cc(NC(N)=O)cc(NC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KIF11 P52732 7/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL1787750 0.87 PEPD (0.56) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL7140644 0.79 MAPT (0.50) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL11445693 0.78 PEPD (0.48) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL7538988 0.76 LMNA (0.58) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL6938372 0.76 PEPD (0.64) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL3690365 0.73 MAPT (0.59) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL2910974 0.71 ALDH1A1 (0.61) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL2891974 0.71 NPC1 (0.61) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL9413738 0.71 PEPD (0.46) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL5523767 0.71 CYP1A2 (0.58) PEPDALDH1A1NPC1MAPTGAA

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-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed