SCHEMBL5565749

SCHEMBL5565749

Cc1cc(C)c(-[n+]2ccc(-c3cc[n+](CCP(=O)(O)O)cc3)cc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 2/20 0.33
▸ PGK2 P07205 2/20 0.33
▸ FDPS P14324 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ GGPS1 O95749 1/20 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
Hydrochloric Acid SCHEMBL604112 0.99 PGK1 (0.33) PGK1PGK2FDPS
Hydrochloric Acid SCHEMBL604178 0.86 FDPS (0.33) FDPSMEN1TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL234296 0.83 PGK1 (0.33) PGK1PGK2FDPSMEN1TP53
SCHEMBL4330743 0.79 ALDH1A1 (0.36) FDPSMEN1TP53CYP1A2CYP2D6
SCHEMBL1226951 0.79 MEN1 (0.39) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL600761 0.78 ALDH1A1 (0.39) FDPSMEN1TP53CYP1A2CYP2D6
Bromide SCHEMBL918125 0.78 MEN1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL210855 0.78 MEN1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5157157 0.78 RAPGEF4 (0.33) TP53CYP1A2
SCHEMBL5565745 0.77 KDM4E (0.31) PGK1PGK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270880-B2 Electrochromic particles NTERA LIMITED (IE) 2007-09-18 — — US claimed
US-20060097233-A1 Electrochromic particles NTERA LIMITED (IE) 2006-05-11 — — US claimed
EP-1443090-A1 Electrochromic particles Ntera Limited (IE) 2004-08-04 — — EP claimed
US-8004742-B2 Electrochromic display device KONICA MINOLTA HOLDINGS, INC. (JP) 2011-08-23 — — US disclosed
US-7270880-B2 Electrochromic particles NTERA LIMITED (IE) 2007-09-18 — — US disclosed
US-20060097233-A1 Electrochromic particles NTERA LIMITED (IE) 2006-05-11 — — US disclosed
EP-1594938-A1 ELECTROCHROMIC COMPOUNDS Ntera Limited (IE) 2005-11-16 — — EP disclosed
WO-2004067673-A1 ELECTROCHROMIC COMPOUNDS NTERA LIMITED (IE) 2004-08-12 — — WO disclosed
EP-1443090-A1 Electrochromic particles Ntera Limited (IE) 2004-08-04 — — EP disclosed
EP-1443091-A1 Electrochromic compounds Ntera Limited (IE) 2004-08-04 — — EP disclosed
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