SCHEMBL8320177

SCHEMBL8320177

N#CC(C#N)=C(C#N)C#N.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.53
▸ ALDH1A1 P00352 8/20 0.48
▸ CYP1A2 P05177 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ HSD17B10 Q99714 6/20 0.48
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 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
SCHEMBL27847841 0.87 ALDH1A1 (0.55) MCL1ALDH1A1CYP1A2HPGDHSD17B10
Cyanate SCHEMBL22436247 0.85 ALDH1A1 (0.52) MCL1ALDH1A1CYP1A2HPGDHSD17B10
Pyrene SCHEMBL8319704 0.85 ALDH1A1 (0.58) MCL1ALDH1A1CYP1A2HPGDHSD17B10
Water SCHEMBL30762258 0.82 ALDH1A1 (0.67) MCL1ALDH1A1CYP1A2HPGDHSD17B10
Water SCHEMBL4564698 0.82 ALDH1A1 (0.67) MCL1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL29433737 0.80 MCL1 (0.58) MCL1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL28891826 0.80 ALDH1A1 (0.52) MCL1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL634848 0.79 ALDH1A1 (0.71) MCL1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL29906043 0.79 ALDH1A1 (0.71) MCL1ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL6538859 0.79 ALDH1A1 (0.71) MCL1ALDH1A1CYP1A2HPGDHSD17B10

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
US-5943154-A MULTILAYER LIGHT CONTROL ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1999-08-24 — — US disclosed
EP-0450862-B1 Organic thin film element TOSHIBA KK (JP) 1999-06-30 — — EP disclosed
US-5155566-A ORGANIC THIN FILM ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-10-13 — — US disclosed
EP-0450862-A2 Organic thin film element KABUSHIKI KAISHA TOSHIBA (JP) 1991-10-09 — — EP disclosed
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