SCHEMBL13223786

SCHEMBL13223786

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ ALDH1A1 P00352 11/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 5/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL14447733 0.89 MAPT (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448768 0.89 TSHR (0.38) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448679 0.78 MAPT (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448217 0.76 MAPT (0.51) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL5720616 0.76 KMT2A (0.51) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL13223784 0.76 MAPT (0.43) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14447749 0.76 KDM4E (0.32) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448682 0.75 MAPT (0.42) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448681 0.75 MAPT (0.42) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14448684 0.75 ALDH1A1 (0.44) 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 1 patent. 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
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