SCHEMBL5268110

SCHEMBL5268110

CC(=O)c1ccc2c(c1)C(C)(C)C(C)=[N+]2CCCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3867446 0.91 TDP1 (0.39) MEN1KMT2AMAPTLMNATHRB
SCHEMBL3868600 0.87 TDP1 (0.40) MEN1KMT2AMAPTLMNATHRB
SCHEMBL12146331 0.85 MEN1 (0.56) MEN1KMT2AMAPTLMNATHRB
SCHEMBL3867937 0.84 HPGD (0.38) MEN1KMT2AMAPTLMNATHRB
SCHEMBL29726657 0.83 MEN1 (0.41) MEN1KMT2AMAPTLMNATHRB
SCHEMBL14457767 0.83 MEN1 (0.41) MEN1KMT2AMAPTLMNATHRB
SCHEMBL3859355 0.83 MEN1 (0.41) MEN1KMT2AMAPTLMNATHRB
SCHEMBL2361662 0.83 MEN1 (0.41) MEN1KMT2AMAPTLMNATHRB
SCHEMBL10138057 0.83 MEN1 (0.41) MEN1KMT2AMAPTLMNATHRB
SCHEMBL559842 0.82 LMNA (0.40) MEN1KMT2AMAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988060-B1 ACID-LABILE AND ENZYMATICALLY DIVISIBLE DYE COMPOUNDS FOR DIAGNOSIS WITH NEAR INFRARED LIGHT AND FOR THERAPY DIAGNOSTIKFORSCHUNG INST (DE) 2007-06-13 EP disclosed
US-6534041-B1 Having little or no fluorescence emission until dye is cleaved from construct at tumor or inflammation target site INSTITUTE FOR DIAGNOSTIC RESEARCH GMBH OF THE FREE UNIVERSITY OF BERLIN (DE) 2003-03-18 US disclosed