SCHEMBL12440853

SCHEMBL12440853

CCc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(CCCCCCCC[N+](C)(C)C)cc4)cccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.54
PLK3 Q9H4B4 8/20 0.54
SLC16A3 O15427 1/20 0.52
TRPV1 Q8NER1 4/20 0.52
TAOK1 Q7L7X3 1/20 0.46
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44

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
SCHEMBL12440833 0.85 PLK1 (0.50) PLK1PLK3SLC16A3
SCHEMBL12440863 0.84 TRPV1 (0.56) TRPV1
SCHEMBL12440857 0.84 TRPV1 (0.56) TRPV1
SCHEMBL12440904 0.84 NPC1 (0.53) PLK1PLK3SLC16A3
SCHEMBL12440869 0.83 TRPV1 (0.57) PLK1TRPV1
SCHEMBL12440824 0.82 PLK1 (0.46) PLK1PLK3SLC16A3TRPV1
SCHEMBL12440845 0.81 TRPV1 (0.52) PLK1TRPV1
SCHEMBL12440877 0.81 TRPV1 (0.52) TRPV1
SCHEMBL12440888 0.81 PLK1 (0.49) PLK1PLK3SLC16A3
SCHEMBL12440839 0.80 NPC1 (0.50) PLK1PLK3SLC16A3TRPV1

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
US-8519040-B2 Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-08-27 US disclosed
US-20110178218-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Avanced Industrial Science and Technology (JP) 2011-07-21 US disclosed