SCHEMBL14280439

SCHEMBL14280439

CC1(C)C(/C=C/c2ccc(N3CCCCC3)cc2)=[N+](Cc2ccc(C(=O)Oc3ccccc3)cc2)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
APP P05067 2/20 0.43
VDR P11473 4/20 0.39
ESR1 P03372 1/20 0.38
CYP17A1 P05093 2/20 0.37
CYP21A2 P08686 2/20 0.37
CYP11B1 P15538 2/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
POLB P06746 1/20 0.35
ALPG P10696 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
S1PR1 P21453 1/20 0.35
NTSR1 P30989 1/20 0.35
RECQL P46063 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) MAPTAPPVDRESR1KMT2A
SCHEMBL14280418 0.84 MAPT (0.50) MAPTAPPVDRESR1KMT2A
SCHEMBL14280435 0.84 MAPT (0.40) MAPTAPPESR1KMT2ALMNA
SCHEMBL14280422 0.84 MAPT (0.52) MAPTAPPVDRESR1KMT2A
SCHEMBL14280427 0.82 MAPT (0.50) MAPTAPPVDRESR1KMT2A
SCHEMBL14280426 0.82 MAPT (0.49) MAPTAPPVDRESR1KMT2A
SCHEMBL14280440 0.81 CTSL (0.41) MAPTAPPVDRKMT2ALMNA
SCHEMBL14280420 0.81 MAPT (0.48) MAPTAPPVDRESR1KMT2A
SCHEMBL14280428 0.80 MAPT (0.53) MAPTAPPVDRESR1KMT2A
SCHEMBL14280421 0.79 MAPT (0.51) MAPTAPPVDRESR1LMNA

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