SCHEMBL4644451

SCHEMBL4644451

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc([I+]c4ccc(Sc5ccc([S+](c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.32
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MAPT P10636 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4643198 0.89 CA12 (0.37) ALDH1A1
SCHEMBL4641253 0.88 PTGS2 (0.33) MAPT
SCHEMBL4643421 0.88
SCHEMBL4641729 0.88 CA12 (0.36) ALDH1A1
SCHEMBL4641419 0.87 MMP1 (0.31)
SCHEMBL6024322 0.85 HTT (0.38) MEN1KMT2AALDH1A1CYP2C19CYP1A2
SCHEMBL6024029 0.85 HDAC11 (0.36) KMT2AALDH1A1
SCHEMBL4644454 0.85 CA12 (0.30)
Toliodium SCHEMBL2902228 0.84 TLR9 (0.38) KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL5408495 0.84 GAA (0.38) KMT2AALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed