SCHEMBL3427824

SCHEMBL3427824

COc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(OC)cc1/C=C(\C#N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.53
▸ NQO2 P16083 2/20 0.48
▸ NQO1 P15559 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP1A1 P04798 7/20 0.46
▸ CYP1B1 Q16678 7/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42

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
SCHEMBL9096079 0.97 MEN1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9096084 0.97 MEN1 (0.54) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097807 0.84 NQO1 (0.47) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097809 0.84 NQO1 (0.47) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL829252 0.82 NQO2 (0.68) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097764 0.82 MAPT (0.70) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL9097760 0.82 MAPT (0.70) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL3428818 0.82 MEN1 (0.41) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL17205328 0.81 MAPT (0.73) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL17205327 0.81 MAPT (0.73) MEN1MAPTKMT2ALMNAL3MBTL1

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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