SCHEMBL14224319

SCHEMBL14224319

CN(C)c1ccc(/C=C/C2=CC(=C(C#N)C#N)C=C(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.47
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
APP P05067 6/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
IDE P14735 1/20 0.36

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
SCHEMBL7999745 0.94 RELA (0.35) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL10104129 0.94 RELA (0.35) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL7999749 0.94 RELA (0.35) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL13680267 0.94 RELA (0.35) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL37057 0.91 KDM4E (0.47) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL37058 0.91 KDM4E (0.47) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL14224321 0.88 MEN1 (0.42) MAPTALDH1A1RAB9AL3MBTL1MAPK1
SCHEMBL5448209 0.88 RELA (0.34) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL5448210 0.88 RELA (0.34) RELAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL14224395 0.88 S100A4 (0.39) RELAMAPTALDH1A1RAB9AL3MBTL1

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-7364804-B2 Pyran derivative, method for manufacturing the same, and light-emitting element containing the pyran derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-29 US disclosed