SCHEMBL17463906

SCHEMBL17463906

Nc1ccc(-c2cccc(-c3ccccc3Nc3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ TDP1 Q9NUW8 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ SYK P43405 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42

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
SCHEMBL17463933 0.95 MAPT (0.47) SIRT2SIRT1TDP1CYP3A4TAAR1
SCHEMBL17454796 0.92 SIRT2 (0.54) SIRT2SIRT1TDP1CYP3A4HSD17B10
SCHEMBL18731241 0.91 SIRT2 (0.55) SIRT2SIRT1TDP1CYP3A4HSD17B10
SCHEMBL24911411 0.87 SIRT2 (0.55) SIRT2SIRT1TDP1CYP3A4HSD17B10
SCHEMBL20317131 0.87 SIRT2 (0.55) SIRT2SIRT1TDP1CYP3A4HSD17B10
SCHEMBL17661463 0.86 SIRT2 (0.49) SIRT2SIRT1TDP1SYKAKR1C3
SCHEMBL17463908 0.86 ALDH1A1 (0.50) SIRT2SIRT1TDP1CYP3A4TAAR1
SCHEMBL31734559 0.85 SIRT2 (0.54) SIRT2SIRT1TDP1CYP3A4HSD17B10
SCHEMBL2790237 0.85 SIRT2 (0.57) SIRT2SIRT1TDP1CYP3A4HSD17B10
SCHEMBL31029800 0.85 SIRT2 (0.57) SIRT2SIRT1TDP1CYP3A4HSD17B10

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-2016013875-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 — — WO disclosed
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