SCHEMBL11940663

SCHEMBL11940663

CN(C)c1cccc2c(N(c3ccc(/C=C(\C#N)C(=O)O)cc3)c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PLEC Q15149 1/20 0.48
▸ CISD1 Q9NZ45 1/20 0.46
▸ SLC16A3 O15427 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SLC16A1 P53985 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ EGFR P00533 1/20 0.46

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
SCHEMBL11940667 0.90 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11936865 0.80 GAA (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15129044 0.79 MEN1 (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15129043 0.79 MEN1 (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11941273 0.79 MEN1 (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7008306 0.77 MAPT (0.51) ALDH1A1MAPTKDM4ECISD1SLC16A3
SCHEMBL5950751 0.77 MEN1 (0.71) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5950754 0.77 MEN1 (0.71) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16544440 0.77 MEN1 (0.71) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12672953 0.77 CISD1 (0.69) ALDH1A1KDM4ECISD1SLC16A3CYP3A4

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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