SCHEMBL1462636

SCHEMBL1462636

CN(C)C(=Cc1ccccc1)C1=CC(=C(C#N)C#N)C=C(C(=Cc2ccccc2)N(C)C)O1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 6/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MCL1 Q07820 1/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 3/20 0.31
MITF O75030 1/20 0.31
S100A4 P26447 1/20 0.31
PLIN1 O60240 1/20 0.30
PLIN5 Q00G26 1/20 0.30
ABHD5 Q8WTS1 1/20 0.30

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
SCHEMBL28980724 0.92 ALDH1A1 (0.34) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL74731 0.92 ALDH1A1 (0.34) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
Iodide SCHEMBL29042229 0.91 ALDH1A1 (0.33) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL3725629 0.90 ALDH1A1 (0.33) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
Coumarin SCHEMBL1049521 0.79 CA12 (0.37) ALDH1A1MAPTRAB9AMCL1NPC1
SCHEMBL990257 0.78 ALDH1A1 (0.32) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL6324930 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2POLBLMNA
Camphor SCHEMBL27923522 0.75 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7191140 0.74
SCHEMBL28429867 0.74

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481264-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE Semiconductor Energy Laboratory Co, Ltd. (JP) 2012-08-01 EP disclosed
WO-2011027657-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-10 WO disclosed
US-5935720-A FLUORESCENT COMPOUND EASTMAN KODAK COMPANY (US) 1999-08-10 US disclosed
US-5908581-A FLUORESCENT MATERIAL EASTMAN KODAK COMPANY (US) 1999-06-01 US disclosed