SCHEMBL11940667

SCHEMBL11940667

CN(C)c1ccc(N(c2ccc(/C=C(\C#N)C(=O)O)cc2)c2ccc(N(C)C)c3ccccc23)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CISD1 Q9NZ45 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ SLC16A3 O15427 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SLC16A1 P53985 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ EGFR P00533 1/20 0.49

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
SCHEMBL11940663 0.90 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2ACISD1
SCHEMBL14191464 0.83 LMNA (0.51) ALDH1A1MEN1MAPTKMT2ACISD1
SCHEMBL15129044 0.82 MEN1 (0.66) ALDH1A1MEN1MAPTKMT2ACISD1
SCHEMBL11941273 0.82 MEN1 (0.66) ALDH1A1MEN1MAPTKMT2ACISD1
SCHEMBL15129043 0.82 MEN1 (0.66) ALDH1A1MEN1MAPTKMT2ACISD1
SCHEMBL23219396 0.81 SLC16A3 (0.63) ALDH1A1CISD1KDM4ESLC16A3CYP3A4
SCHEMBL12672948 0.81 SLC16A3 (0.63) ALDH1A1CISD1KDM4ESLC16A3CYP3A4
SCHEMBL12672951 0.81 SLC16A3 (0.63) ALDH1A1CISD1KDM4ESLC16A3CYP3A4
SCHEMBL10071971 0.81 SLC16A3 (0.63) ALDH1A1CISD1KDM4ESLC16A3CYP3A4
SCHEMBL15128919 0.81 SLC16A3 (0.63) ALDH1A1CISD1KDM4ESLC16A3CYP3A4

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-8227690-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 — — US disclosed
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