SCHEMBL28007737

SCHEMBL28007737

CC(C)(C)OC(=O)N1CCCCC1C(=N)N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ UCHL1 P09936 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ SCN4A P35499 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL31638601 0.95 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL10037264 0.95 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL22092376 0.89 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1478184 0.88 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL82116 0.88 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1478166 0.88 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2308822 0.85 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL21334251 0.85 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1118578 0.85 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2308815 0.85 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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-104428293-A TNF -alpha modulating benzimidazoles UCB PHARMA SA 2015-03-18 — — CN disclosed
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