SCHEMBL13670997

SCHEMBL13670997

C1=CCC(N(c2ccccc2)c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.37
APP P05067 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 3/20 0.31
OPRD1 P41143 3/20 0.31

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
SCHEMBL15235275 0.85 SNCA (0.34) ALDH1A1MAPTMEN1LMNAMAPK1
SCHEMBL10172885 0.84 KDM4E (0.36) KDM4ECYP3A4OPRM1OPRD1SLC6A2
SCHEMBL13849207 0.84 PDK2 (0.32)
SCHEMBL15256650 0.76 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL22754703 0.76 SLC6A2 (0.32) ALDH1A1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL14199545 0.74 RELA (0.40) RELAAPPALDH1A1MAPTMEN1
SCHEMBL14539950 0.74 TRPM8 (0.47) RELAAPPALDH1A1MAPTMEN1
SCHEMBL14159377 0.74 TRPM8 (0.47) RELAAPPALDH1A1MAPTMEN1
SCHEMBL14201210 0.74 TRPM8 (0.47) RELAAPPALDH1A1MAPTMEN1
SCHEMBL101911 0.74 RELA (0.60) RELAAPPALDH1A1MAPTMEN1

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
EP-2107095-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-07 EP disclosed