SCHEMBL1585712

SCHEMBL1585712

CC1=C(C#N)C(=O)N(C)C(=O)C1=CC=C1N2CCCc3cccc(c32)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ USP2 O75604 3/20 0.38
▸ GAA P10253 3/20 0.35
▸ CES1 P23141 2/20 0.34
▸ MAP2K1 Q02750 1/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 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
SCHEMBL17350429 1.00 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721825 1.00 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721266 1.00 ALDH1A1 (0.38) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721880 0.88 ALDH1A1 (0.37) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL1585141 0.88 ALDH1A1 (0.37) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL13556353 0.88 ALDH1A1 (0.37) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721457 0.88 ALDH1A1 (0.37) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL1585140 0.88 ALDH1A1 (0.37) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721459 0.88 ALDH1A1 (0.36) ALDH1A1USP2GAACES1MAP2K1
SCHEMBL12721881 0.88 ALDH1A1 (0.36) ALDH1A1USP2GAACES1MAP2K1

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 4 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
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
EP-2489084-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-08-22 — — EP 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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