SCHEMBL13223784

SCHEMBL13223784

CCOC(=O)C(C#N)=C1C=C(C)N(C2CCCC2)C(C)=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 11/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ TOP2A P11388 1/20 0.37
▸ TOP2B Q02880 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL14448681 0.99 MAPT (0.42) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448682 0.99 MAPT (0.42) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448679 0.95 MAPT (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14289478 0.89 L3MBTL1 (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14447752 0.84 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL14289604 0.84 POLB (0.33) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL13223786 0.76 MAPT (0.47) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448217 0.75 MAPT (0.51) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448680 0.74 ALDH1A1 (0.51) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6087687 0.74 MAPT (0.43) MAPTKDM4EKMT2AMEN1ALDH1A1

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-7778145-B2 Optical recording medium and optical recording method of the same MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 — — US disclosed
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