SCHEMBL5672863

SCHEMBL5672863

CN(C(=N)N)C(=O)C=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TRPM8 Q7Z2W7 3/20 0.53
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PLIN1 O60240 2/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 2/20 0.48
PLIN5 Q00G26 2/20 0.48
ABHD5 Q8WTS1 2/20 0.48
TNKS O95271 1/20 0.48

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
SCHEMBL7666281 0.86 NPC1 (0.57) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL11463461 0.86 NPC1 (0.57) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL11775852 0.82 HDAC3 (0.61) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL11775847 0.82 HDAC3 (0.61) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL7667146 0.81 GLA (0.60) NPC1L3MBTL1TRPM8GLATDP1
Hydrochloric Acid SCHEMBL11684975 0.81 NPC1 (0.59) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL7713725 0.81 GLA (0.60) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL5672757 0.81 NPC1 (0.51) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL5672749 0.81 NPC1 (0.51) NPC1L3MBTL1TRPM8GLATDP1
SCHEMBL5672755 0.81 NPC1 (0.51) NPC1L3MBTL1TRPM8GLATDP1

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-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 WO claimed