SCHEMBL14280428

SCHEMBL14280428

CC1(C)C(/C=C/c2ccc(N3CCCC3)cc2)=[N+](Cc2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
APP P05067 3/20 0.53
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ESR1 P03372 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
VDR P11473 4/20 0.34

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
SCHEMBL14280425 0.89 MAPT (0.54) MAPTAPPCTSLCTSBLMNA
SCHEMBL14280422 0.87 MAPT (0.52) MAPTAPPLMNASMN1; SMN2L3MBTL1
SCHEMBL14280426 0.87 MAPT (0.49) MAPTAPPLMNASMN1; SMN2L3MBTL1
SCHEMBL14280434 0.87 MAPT (0.40) MAPTAPPCTSLCTSBLMNA
SCHEMBL14280421 0.86 MAPT (0.51) MAPTAPPCTSLCTSBLMNA
SCHEMBL14280418 0.86 MAPT (0.50) MAPTAPPLMNASMN1; SMN2L3MBTL1
SCHEMBL14280427 0.86 MAPT (0.50) MAPTAPPCTSLCTSBLMNA
SCHEMBL14280430 0.84 MAPT (0.65) MAPTAPPCTSLCTSBLMNA
SCHEMBL14280420 0.84 MAPT (0.48) MAPTAPPLMNASMN1; SMN2L3MBTL1
Iodide SCHEMBL6670545 0.81 MAPT (0.66) MAPTAPPCTSLCTSBLMNA

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
US-7316890-B2 Indolestyryl compound for use in recording media and method for fabrication thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-01-08 US disclosed