SCHEMBL13556353

SCHEMBL13556353

CCCCN1C(=O)C(C#N)=C(C)/C(=C\C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GPR55 Q9Y2T6 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.32
▸ SIGMAR1 Q99720 4/20 0.32
▸ EBP Q15125 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CES1 P23141 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MAP2K1 Q02750 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
SCHEMBL1585140 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12721457 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1585141 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13556354 0.97 ALDH1A1 (0.34) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13388899 0.95 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13388898 0.95 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12721889 0.89 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1585712 0.88 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12721266 0.88 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12721825 0.88 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2

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
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — 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
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
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