SCHEMBL12721835

SCHEMBL12721835

CN1N=C(C(F)(F)F)/C(=C/C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CES1 P23141 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ USP2 O75604 3/20 0.32
▸ POLB P06746 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
SCHEMBL12721831 0.88 KMT2A (0.44) ALDH1A1L3MBTL1CES1GAAMAP2K1
SCHEMBL12721837 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1CES1GAAMAP2K1
SCHEMBL12721853 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1CES1GAAMAP2K1
SCHEMBL12721838 0.84 MEN1 (0.36) ALDH1A1L3MBTL1GAAMEN1KMT2A
SCHEMBL12721459 0.78 ALDH1A1 (0.36) ALDH1A1CES1GAAMAP2K1MEN1
SCHEMBL12721881 0.78 ALDH1A1 (0.36) ALDH1A1CES1GAAMAP2K1MEN1
SCHEMBL1585025 0.78 CES1 (0.47) ALDH1A1CES1GAAMAP2K1MEN1
SCHEMBL12721306 0.78 CES1 (0.47) ALDH1A1CES1GAAMAP2K1MEN1
SCHEMBL1585026 0.78 CES1 (0.47) ALDH1A1CES1GAAMAP2K1MEN1
SCHEMBL13556370 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1CES1GAAMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
EP-2489084-B1 COMPOSITIONS FOR THE PRODUCTION OF PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTO DETECTORS BASF SE (DE) 2015-12-23 — — EP disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
WO-2011045253-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2011-04-21 — — WO disclosed
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