SCHEMBL2759681

SCHEMBL2759681

[C-]#[N+]/C(=C\c1cc(OCC(CC)CCCC)c(/C=C(\C#N)c2ccc(C)cc2)cc1OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.33
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL3428818 0.90 MEN1 (0.41) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL2759668 0.83 MAPT (0.40) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL2759705 0.81 PPARD (0.35) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL2759669 0.81 PPARD (0.35) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL2759677 0.75 MAPT (0.38) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL3427824 0.73 MEN1 (0.56) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL12252264 0.72 TDP1 (0.40) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9096084 0.71 MEN1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9096079 0.71 MEN1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL266814 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674347-B2 Organic semiconductor material and organic thin-film transistor KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2014-03-18 — — US disclosed
US-20120001162-A1 ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC THIN-FILM TRANSISTOR KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2012-01-05 — — US disclosed
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