SCHEMBL4506557

SCHEMBL4506557

CN1/C(=C\C=C\C=C2\C(=O)c3ccccc3S2(=O)=O)C(C)(C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.52
LMNA P02545 7/20 0.52
MAPT P10636 16/20 0.51
MEN1 O00255 13/20 0.51
KMT2A Q03164 13/20 0.51
POLB P06746 6/20 0.51
USP2 O75604 5/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 7/20 0.48
THRB P10828 6/20 0.48
RECQL P46063 6/20 0.48
MAPK1 P28482 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
BLM P54132 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48

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
SCHEMBL2057334 1.00 HTT (0.52) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057338 1.00 HTT (0.52) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057342 1.00 HTT (0.52) HTTLMNAMAPTMEN1KMT2A
SCHEMBL13292510 0.81 PTPN1 (0.38) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057099 0.79 MEN1 (0.40) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057106 0.79 MEN1 (0.40) HTTLMNAMAPTMEN1KMT2A
SCHEMBL23515503 0.76 MAPT (0.54) HTTLMNAMAPTMEN1KMT2A
SCHEMBL13713099 0.76 ESR1 (0.34) HTTMAPTMEN1KMT2APOLB
SCHEMBL9637127 0.75 MAPT (0.77) HTTLMNAMAPTMEN1KMT2A
SCHEMBL9637124 0.75 MAPT (0.77) HTTLMNAMAPTMEN1KMT2A

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
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed