SCHEMBL2759668

SCHEMBL2759668

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NQO1 P15559 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ CYP1A1 P04798 8/20 0.33
▸ CYP1B1 Q16678 8/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PLK4 O00444 1/20 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
SCHEMBL2759681 0.83 MEN1 (0.35) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL2759677 0.82 MAPT (0.38) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL3427824 0.80 MEN1 (0.56) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL2759669 0.79 PPARD (0.35) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL2759705 0.79 PPARD (0.35) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL9096084 0.78 MEN1 (0.54) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL9096079 0.78 MEN1 (0.54) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL2759664 0.76 ESR1 (0.43) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL2759693 0.76 LMNA (0.36) MAPTLMNASMN1; SMN2CYP1A1CYP1B1
SCHEMBL2759672 0.74 CYP1A2 (0.41) MAPTMEN1KMT2ALMNANPSR1

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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