SCHEMBL17463933

SCHEMBL17463933

Nc1ccc(-c2cccc(-c3ccccc3Nc3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ TDP1 Q9NUW8 5/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ GAA P10253 5/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ TP53 P04637 1/20 0.46
▸ APP P05067 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL17463906 0.95 SIRT2 (0.51) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL17463908 0.91 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL18117100 0.89 MAOA (0.53) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL17266176 0.89 MEN1 (0.46) MAPTALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL29104489 0.89 AKR1C3 (0.44) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL17794524 0.87 MAPT (0.56) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL17454796 0.87 SIRT2 (0.54) MAPTALDH1A1CYP3A4TDP1HSD17B10
SCHEMBL23079520 0.85 FABP3 (0.46) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL18731241 0.85 SIRT2 (0.55) MAPTALDH1A1CYP3A4TDP1HSD17B10
SCHEMBL17547202 0.84 ALK (0.42) MAPTALDH1A1L3MBTL1CYP3A4HTT

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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