SCHEMBL14280425

SCHEMBL14280425

CC1(C)C(/C=C/c2ccc(N3CCCCC3)cc2)=[N+](Cc2ccc(C(=O)Oc3ccccc3)cc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
APP P05067 3/20 0.54
ESR1 P03372 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
VDR P11473 3/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL14280418 0.91 MAPT (0.50) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280427 0.91 MAPT (0.50) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280422 0.91 MAPT (0.52) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280439 0.91 MAPT (0.43) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280426 0.91 MAPT (0.49) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280428 0.89 MAPT (0.53) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280420 0.89 MAPT (0.48) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280421 0.87 MAPT (0.51) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280435 0.86 MAPT (0.40) MAPTAPPESR1L3MBTL1SMN1; SMN2
SCHEMBL14280430 0.81 MAPT (0.65) MAPTAPPLMNAKMT2AALDH1A1

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