SCHEMBL15020129

SCHEMBL15020129

CCN(c1ccc(N=C2C=C(Nc3ccc(N(CC)C(C)C)cc3)C(=O)C=C2Nc2ccc(N(CC)C(C)C)cc2)cc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.37
▸ MAPT P10636 8/20 0.37
▸ L3MBTL1 Q9Y468 6/20 0.37
▸ HTT P42858 4/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ APAF1 O14727 3/20 0.36
▸ MITF O75030 2/20 0.36
▸ DNM1 Q05193 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HPGD P15428 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ SMAD3 P84022 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ MCL1 Q07820 4/20 0.33

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
SCHEMBL15020128 1.00 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL17253269 1.00 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15019814 0.96 APAF1 (0.39) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15019813 0.96 APAF1 (0.39) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15039548 0.96 MAPT (0.41) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15039564 0.96 APAF1 (0.39) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15020117 0.94 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL17253298 0.94 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15020118 0.94 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL17253354 0.91 APAF1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791252-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2014-10-22 — — EP claimed
WO-2013087768-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2013-06-20 — — WO claimed
EP-2791252-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2014-10-22 — — EP disclosed
WO-2013087768-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2013-06-20 — — WO disclosed
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