SCHEMBL5556294

SCHEMBL5556294

CC1=Nc2ccc(C(=O)O)c(CCCCS(=O)(=O)O)c2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL18894226 0.82 MEN1 (0.37) MEN1KMT2A
SCHEMBL5072444 0.82 MEN1 (0.37) MEN1KMT2A
SCHEMBL5175427 0.74 MEN1 (0.38) MEN1KMT2A
SCHEMBL8027852 0.74 MEN1 (0.45) MEN1KMT2A
SCHEMBL2957950 0.71 MEN1 (0.45) MEN1KMT2A
SCHEMBL10127256 0.71 HPGD (0.40) MEN1KMT2A
SCHEMBL101046 0.70 KMT2A (0.46) MEN1KMT2A
SCHEMBL723300 0.69 KMT2A (0.35) MEN1KMT2A
SCHEMBL10035881 0.68 MEN1 (0.46) MEN1KMT2A
SCHEMBL15390532 0.67 GPR35 (0.31) MEN1KMT2A

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
WO-2007088129-A2 CYANINE DYE COMPOUNDS LINKED TO METAL CHELATOR FOR BI-MODAL DIAGNOSTIC IMAGING DKFZ DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2007-08-09 WO disclosed
WO-2003082988-A1 NIR-FLUORESCENT CYANINE DYES, THEIR SYNTHESIS AND BIOLOGICAL USE THE GENERAL HOSPITAL CORPORATION (US) 2003-10-09 WO disclosed
EP-1176987-A2 SHORT-CHAIN PEPTIDE DYE CONJUGATES USED AS CONTRAST AGENTS FOR OPTICAL DIAGNOSTICS INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 2002-02-06 EP disclosed
WO-2000061194-A2 SHORT-CHAIN PEPTIDE DYE CONJUGATES USED AS CONTRAST AGENTS FOR OPTICAL DIAGNOSTICS Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 2000-10-19 WO disclosed