SCHEMBL16249237

SCHEMBL16249237

CC1=[N+](CCCS(=O)(=O)O)c2ccc(OC=O)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.35
HPGD P15428 1/20 0.31

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
SCHEMBL15293516 0.86 MAPT (0.44) MEN1LMNAMAPTTHRBHTT
SCHEMBL9124332 0.84 MEN1 (0.39) MEN1LMNAMAPTTHRBHTT
SCHEMBL12934507 0.84 HTT (0.42) MEN1LMNAMAPTTHRBHTT
SCHEMBL19052148 0.82 MEN1 (0.36) MEN1LMNAMAPTTHRBHTT
SCHEMBL13223583 0.80 MEN1 (0.42) MEN1LMNAMAPTTHRBHTT
SCHEMBL1656985 0.80 MEN1 (0.42) MEN1LMNAMAPTTHRBHTT
SCHEMBL5271477 0.79 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL5271474 0.79 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL721215 0.79 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL135011 0.79 LMNA (0.41) MEN1LMNAMAPTTHRBHTT

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
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed