SCHEMBL12647717

SCHEMBL12647717

C=N/C(I)=C\NC1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL12647716 0.82 SMN1; SMN2 (0.41) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL17948098 0.80 HSD17B10 (0.44) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL28232406 0.78 HSD17B10 (0.47) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL12655486 0.78 NPC1 (0.41) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL4244079 0.73 HSD17B10 (0.50) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL2684345 0.73 HSD17B10 (0.50) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL3940084 0.71 NPC1 (0.48) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL9078128 0.71 HSD17B10 (0.48) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL28943307 0.71 HSD17B10 (0.51) HSD17B10LMNANPSR1NPC1SMN1; SMN2
SCHEMBL27982374 0.71 HSD17B10 (0.48) HSD17B10LMNANPSR1NPC1SMN1; SMN2

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
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
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