SCHEMBL11936863

SCHEMBL11936863

[C-]#[N+]/C(=C\c1ccc(N(c2ccc(N(C)C)c3ccccc23)c2ccc(N(C)C)c3ccccc23)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ CHEK1 O14757 1/20 0.34

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
SCHEMBL11936865 0.90 GAA (0.41) MAPTLMNASMN1; SMN2POLBNFKB1
SCHEMBL11936850 0.82 MAPT (0.43) MAPTLMNARELAALDH1A1KMT2A
SCHEMBL11936860 0.82 MAPT (0.43) MAPTLMNARELAALDH1A1KMT2A
SCHEMBL6356185 0.81 TP53 (0.39) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL12661948 0.78 TRPM8 (0.47) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL11940667 0.78 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL12661932 0.78 TP53 (0.50) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL11936853 0.78 TP53 (0.50) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL11936856 0.77 KDM4E (0.40) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL11936854 0.76 TRPM8 (0.40) MAPTPOLBALDH1A1KMT2AGAA

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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