SCHEMBL14280435

SCHEMBL14280435

CC1(C)C(/C=C/c2ccc(N3CCCCC3)cc2)=[N+](Cc2ccc(C(=O)Oc3ccccc3)cc2)c2ccc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
APP P05067 2/20 0.40
ESR1 P03372 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL14280434 0.90 MAPT (0.40) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL14280425 0.86 MAPT (0.54) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL14280439 0.84 MAPT (0.43) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL14280421 0.84 MAPT (0.51) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL14280422 0.83 MAPT (0.52) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL14280436 0.83 MAPT (0.47) MAPTAPPLMNAPRMT1KMT2A
SCHEMBL14280437 0.80 MAPT (0.49) MAPTAPPL3MBTL1LMNASMN1; SMN2
SCHEMBL14280427 0.79 MAPT (0.50) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL14280418 0.79 MAPT (0.50) MAPTAPPESR1L3MBTL1LMNA
SCHEMBL13672219 0.78 MAPT (0.51) MAPTAPPL3MBTL1LMNASMN1; SMN2

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