SCHEMBL11936865

SCHEMBL11936865

[C-]#[N+]/C(=C\c1ccc(N(c2ccc(N(C)C)c3c(N(C)C)cccc23)c2ccc(N(C)C)c3c(N(C)C)cccc23)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL11936863 0.90 MAPT (0.40) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL11940663 0.80 ALDH1A1 (0.49) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL11936860 0.79 MAPT (0.43) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL11936850 0.79 MAPT (0.43) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL6356185 0.76 TP53 (0.39) GAATSHRKDM4EMAPTALDH1A1
SCHEMBL11988107 0.74 CTDSP1 (0.36) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL440289 0.73 TRPM8 (0.40) GAAKDM4EMAPTALDH1A1KMT2A
SCHEMBL11936854 0.73 TRPM8 (0.40) GAAKDM4EMAPTALDH1A1KMT2A
SCHEMBL11936855 0.73 SLC16A3 (0.36) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL12661948 0.73 TRPM8 (0.47) GAAMAPTALDH1A1LMNAKMT2A

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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