SCHEMBL17463827

SCHEMBL17463827

c1ccc(Nc2ccccc2-c2cccc(-c3ccc(Nc4ccc(-c5cccc(-c6ccccc6)c5)cc4)c(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ AKR1C3 P42330 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ ATM Q13315 2/20 0.39
▸ CDC25B P30305 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL17547202 1.00 ALK (0.42) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL18767302 0.97 SIRT2 (0.47) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL17547221 0.97 SIRT2 (0.47) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL17547175 0.95 SIRT2 (0.48) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL17266176 0.95 MEN1 (0.46) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL17661463 0.94 SIRT2 (0.49) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL17454545 0.92 SIRT2 (0.48) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL23079520 0.92 FABP3 (0.46) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL14877562 0.92 ALK (0.44) ALKSIRT2SIRT1MEN1MAPT
SCHEMBL17547231 0.92 ALK (0.44) ALKSIRT2SIRT1MEN1MAPT

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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