SCHEMBL13358366

SCHEMBL13358366

Cc1cccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2cccc(C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
APP P05067 2/20 0.39
CYP1A2 P05177 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNK3 O14649 1/20 0.35
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 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
SCHEMBL13372114 1.00 RELA (0.40) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358383 1.00 RELA (0.40) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358347 0.96 RELA (0.37) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358079 0.96 RELA (0.37) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358099 0.96 RELA (0.37) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358489 0.93 ASIC1 (0.39) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358433 0.92 RELA (0.41) RELATRPV1APPCYP1A2NR1H2
SCHEMBL21173409 0.91 TSHR (0.42) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL13358666 0.90 RELA (0.41) RELATRPV1APPCYP1A2NFE2L2
SCHEMBL13358528 0.90 RELA (0.41) RELATRPV1APPCYP1A2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010058995-A1 ELECTROLUMINESCENT DEVICE USING THE ELECTROLUMINESCENT COMPOUNDS GRACEL DISPLAY INC. (KR) 2010-05-27 WO disclosed
EP-2189508-A2 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-05-26 EP disclosed