SCHEMBL15501082

SCHEMBL15501082

CC1=[N+](CCS(=O)(=O)O)c2ccc(S(N)(=O)=O)cc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 17/20 0.34
CA1 P00915 11/20 0.34
CA9 Q16790 10/20 0.34
CA12 O43570 10/20 0.34
CA7 P43166 8/20 0.34
CA6 P23280 7/20 0.34
CA5A P35218 7/20 0.34
CA5B Q9Y2D0 7/20 0.34

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
SCHEMBL12267581 0.90 MEN1 (0.43) MEN1MAPTKMT2ALMNATHRB
SCHEMBL14468051 0.85 MEN1 (0.42) MEN1MAPTKMT2ALMNATHRB
SCHEMBL12791985 0.84 MEN1 (0.60) MEN1MAPTKMT2ALMNATHRB
SCHEMBL1656985 0.82 MEN1 (0.42) MEN1MAPTKMT2ALMNATHRB
SCHEMBL5271477 0.81 MEN1 (0.41) MEN1MAPTKMT2ALMNATHRB
SCHEMBL5271474 0.81 MEN1 (0.41) MEN1MAPTKMT2ALMNATHRB
SCHEMBL3859355 0.81 MEN1 (0.41) MEN1MAPTKMT2ALMNATHRB
SCHEMBL721215 0.81 MEN1 (0.41) MEN1MAPTKMT2ALMNATHRB
SCHEMBL135011 0.81 LMNA (0.41) MEN1MAPTKMT2ALMNATHRB
SCHEMBL4966820 0.81 MEN1 (0.43) MEN1MAPTKMT2ALMNATHRB

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-1810998-B1 Fluorescent cyanine dye FERRANIA TECHNOLOGIES SPA (IT) 2014-03-12 EP disclosed