SCHEMBL5288352

SCHEMBL5288352

CCCc1n(CCC)cc[n+]1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.35
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5290010 0.90 NPC1 (0.36) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL5294006 0.89 NPC1 (0.39) HDAC8APOBEC3AAPOBEC3GPOLBSMN1; SMN2
SCHEMBL5290572 0.88 KMT2A (0.39) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL5297687 0.88 LMNA (0.38) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL5330262 0.88 HDAC8 (0.35) HDAC8APOBEC3AAPOBEC3GPOLBCTDSP1
SCHEMBL5815521 0.87 NPC1 (0.41) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5281868 0.87 NPC1 (0.41) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5810501 0.87 NPC1 (0.41) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5810757 0.87 NPC1 (0.41) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E
SCHEMBL5295289 0.87 NPC1 (0.41) APOBEC3AAPOBEC3GPOLBSMN1; SMN2KDM4E

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed