SCHEMBL12721459

SCHEMBL12721459

CN1C(=O)C(C#N)=C(C(F)(F)F)/C(=C\C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ USP2 O75604 2/20 0.36
▸ GAA P10253 1/20 0.33
▸ CES1 P23141 2/20 0.32
▸ MAP2K1 Q02750 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL12721881 1.00 ALDH1A1 (0.36) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721889 0.89 ALDH1A1 (0.35) ALDH1A1USP2GAAMEN1MAPT
SCHEMBL12721266 0.88 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721825 0.88 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL17350429 0.88 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL1585712 0.88 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721890 0.86 ALDH1A1 (0.36) ALDH1A1USP2GAAMEN1MAPT
SCHEMBL12721880 0.85 ALDH1A1 (0.37) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721885 0.82 ALDH1A1 (0.35) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721877 0.82 USP2 (0.31) ALDH1A1USP2

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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