SCHEMBL14448684

SCHEMBL14448684

CCOC(=O)C(C#N)=C1C=C(C)N(N2CCN(C)CC2)C(C)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ GAA P10253 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL14448770 0.88 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14448683 0.86 MEN1 (0.41) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14448680 0.76 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14448679 0.75 MAPT (0.44) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL13223786 0.75 MAPT (0.47) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14448217 0.74 MAPT (0.51) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL13223784 0.73 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14289478 0.73 L3MBTL1 (0.50) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14447733 0.73 MAPT (0.44) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL990247 0.73 KMT2A (0.62) ALDH1A1MAPTKDM4EHPGDL3MBTL1

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-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 — — US disclosed
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