SCHEMBL14280422

SCHEMBL14280422

CC1(C)C(/C=C/c2ccc(N3CCCC3)cc2)=[N+](Cc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
APP P05067 3/20 0.52
VDR P11473 4/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.35
MAOB P27338 2/20 0.35
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

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 0.91 MAPT (0.54) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280418 0.91 MAPT (0.50) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280427 0.89 MAPT (0.50) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280426 0.88 MAPT (0.49) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280421 0.88 MAPT (0.51) MAPTAPPVDRSMN1; SMN2LMNA
SCHEMBL14280428 0.87 MAPT (0.53) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280420 0.87 MAPT (0.48) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280439 0.84 MAPT (0.43) MAPTAPPVDRMEN1KMT2A
SCHEMBL14280435 0.83 MAPT (0.40) MAPTAPPMEN1KMT2ASMN1; SMN2
SCHEMBL14280424 0.80 APP (0.38) MAPTAPPVDRALDH1A1

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