SCHEMBL14289478

SCHEMBL14289478

CCOC(=O)C(C#N)=C1C=C(C)N(C2CCN(C(=O)OCC)CC2)C(C)=C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TSHR P16473 1/20 0.44
▸ CHRM1 P11229 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14448679 0.91 MAPT (0.44) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL13223784 0.89 MAPT (0.43) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL14448681 0.88 MAPT (0.42) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL14448682 0.88 MAPT (0.42) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL14447752 0.74 ALDH1A1 (0.34) L3MBTL1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL14289604 0.73 POLB (0.33) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL14448684 0.73 ALDH1A1 (0.44) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL13223786 0.73 MAPT (0.47) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL14448683 0.72 MEN1 (0.41) L3MBTL1TSHRGAAMEN1KMT2A
SCHEMBL14448217 0.72 MAPT (0.51) L3MBTL1TSHRGAAMEN1KMT2A

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
EP-1892269-A1 Compositions comprising monosubstituted squaric acid metal complex dyes and merocycanine based dyes and their use in optical layers for optical data recording Clariant International Ltd. (CH) 2008-02-27 — — EP disclosed
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