SCHEMBL11936855

SCHEMBL11936855

[C-]#[N+]/C(=C\c1ccc(N(c2ccc(N(c3cccc(C)c3)c3cccc(C)c3)cc2)c2ccc(N(c3cccc(C)c3)c3cccc(C)c3)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.36
▸ SLC16A1 P53985 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PAX8 Q06710 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL12661948 0.89 TRPM8 (0.47) TRPM8ALDH1A1HPGDNPC1RAB9A
SCHEMBL440289 0.88 TRPM8 (0.40) TRPM8ALDH1A1HPGDNPC1RAB9A
SCHEMBL11936854 0.88 TRPM8 (0.40) TRPM8ALDH1A1HPGDNPC1RAB9A
SCHEMBL6356185 0.87 TP53 (0.39) SLC16A3SLC16A1TRPM8ALDH1A1KDM4E
SCHEMBL11936859 0.86 TP53 (0.41) SLC16A3SLC16A1MAPTMEN1KMT2A
SCHEMBL11988098 0.84 TRPM8 (0.43) TRPM8ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11988110 0.83 CTDSP1 (0.36) TRPM8EGFR
SCHEMBL11988094 0.82 CTDSP1 (0.35) SLC16A3SLC16A1TRPM8ALDH1A1HPGD
SCHEMBL11936850 0.82 MAPT (0.43) ALDH1A1MAPK1NPC1RAB9AJAK2
SCHEMBL11936860 0.82 MAPT (0.43) ALDH1A1MAPK1NPC1RAB9AJAK2

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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