SCHEMBL4564927

SCHEMBL4564927

CN1C(=O)C(=CC=CC=C2N(CCCS(=O)(=O)O)c3ccccc3C2(C)C)C(=O)N(C)C1=S.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.42
MEN1 O00255 11/20 0.42
KMT2A Q03164 11/20 0.42
ALDH1A1 P00352 6/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 7/20 0.40
MMP13 P45452 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
HPGD P15428 4/20 0.40
ALPG P10696 3/20 0.40
THRB P10828 3/20 0.40
RECQL P46063 3/20 0.40
BLM P54132 3/20 0.40

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
SCHEMBL13707089 0.91 HTT (0.41) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13172531 0.90 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4564926 0.89 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4564929 0.89 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL10987774 0.81 MEN1 (0.61) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL12901136 0.79 MAPT (0.60) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13292512 0.78 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL4505267 0.78 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4499078 0.77 PTPN1 (0.38) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13292510 0.76 PTPN1 (0.38) MAPTMEN1KMT2AALDH1A1HTT

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
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
US-20060029946-A1 Live cell biosensors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-09 US disclosed