SCHEMBL16494062

SCHEMBL16494062

CCCCCCN(CCCCCC)c1ccc(-c2c[n+](C)ccc2-c2cccs2)cc1.F[B-](F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ INSR P06213 1/20 0.31
▸ PTGES O14684 2/20 0.30
▸ ALOX5 P09917 2/20 0.30

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
Iodide SCHEMBL16494135 0.95 KDM4E (0.33) HPGDKDM4EALDH1A1GAAINSR
SCHEMBL16495011 0.90 KCNA3 (0.34) HPGDKDM4EALDH1A1GAAPTGES
SCHEMBL16494730 0.85 CNR2 (0.39) ALDH1A1GAAPTGESALOX5
SCHEMBL354255 0.78 INSR (0.34) KDM4EACHEINSRPTGESALOX5
SCHEMBL5487203 0.73 LTA4H (0.46) KDM4EALDH1A1GAA
Iodide SCHEMBL352068 0.71 KDM4E (0.37) KDM4EINSR
SCHEMBL14805202 0.70 TOP1 (0.41) HPGDKDM4EALDH1A1
SCHEMBL354256 0.69 INSR (0.33) KDM4EINSR
SCHEMBL352115 0.68 CNR2 (0.36) ALDH1A1GAAINSRPTGESALOX5
Trifluoromethanesulfonic Acid SCHEMBL353958 0.67 KCNH2 (0.45) ALDH1A1GAAACHEPTGESALOX5

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
EP-2395055-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT National University Corporation Hokkaido University (JP) 2011-12-14 — — EP disclosed
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