SCHEMBL5268112

SCHEMBL5268112

CC(=O)c1ccc2c(c1)C(C)(C)C(C)N2CCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4A O75164 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GNRHR P30968 2/20 0.36
HPGD P15428 1/20 0.34
AKR1B1 P15121 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
GAA P10253 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
SCHEMBL3867447 0.91 GNRHR (0.38) MAPTMEN1KDM4APOLBTHRB
SCHEMBL17838804 0.87 GNRHR (0.39) MAPTMEN1KDM4APOLBTHRB
SCHEMBL3868601 0.87 GNRHR (0.39) MAPTMEN1KDM4APOLBTHRB
SCHEMBL6018477 0.84 MEN1 (0.35) MAPTMEN1KDM4APOLBTHRB
SCHEMBL15624013 0.84 MAPT (0.35) MAPTMEN1KDM4APOLBTHRB
SCHEMBL3877741 0.82 GNRHR (0.40) MAPTMEN1KDM4APOLBTHRB
SCHEMBL3868776 0.82 KDM4E (0.35) MAPTMEN1KDM4APOLBTHRB
SCHEMBL3878105 0.81 DRD2 (0.38) MAPTMEN1KDM4APOLBTHRB
SCHEMBL15624033 0.80 MEN1 (0.36) MAPTMEN1KDM4APOLBTHRB
SCHEMBL2677869 0.80 MEN1 (0.36) MAPTMEN1KDM4APOLBTHRB

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