SCHEMBL17954479

SCHEMBL17954479

CC1(C)c2ccccc2N(c2cccc3cccc([SH](=O)=O)c23)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ APP P05067 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SNCA P37840 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 10/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 8/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TYMS P04818 1/20 0.33
▸ PDE6D O43924 1/20 0.32

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
SCHEMBL20444739 0.77 MAPT (0.40) MAPTKDM4EGAAALDH1A1NSD2
SCHEMBL17954513 0.73 MAPT (0.37) MAPTKDM4EGAAALDH1A1NSD2
SCHEMBL13231539 0.73 KMT2A (0.47) MAPTKDM4EGAAALDH1A1HSD17B10
SCHEMBL22501751 0.73 MAPT (0.54) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL30825127 0.73 MAPT (0.54) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL17954484 0.72 HTR6 (0.38) MAPTKDM4EGAAALDH1A1NSD2
SCHEMBL20444651 0.72 PDE6D (0.38) MAPTKDM4EGAAALDH1A1NSD2
SCHEMBL12109220 0.70 KMT2A (0.37) MAPTKDM4EGAAALDH1A1NSD2
SCHEMBL13231590 0.70 KMT2A (0.46) MAPTKDM4EGAAALDH1A1HSD17B10
SCHEMBL13008471 0.70 KMT2A (0.44) MAPTKDM4EGAAALDH1A1NSD2

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
WO-2016116510-A1 NAPTHYL-SUBSTITUTED ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
Send feedback