SCHEMBL5287842

SCHEMBL5287842

COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ XBP1 P17861 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KMT2A Q03164 7/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ MITF O75030 1/20 0.61
▸ NCOA3 Q9Y6Q9 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MCHR1 Q99705 1/20 0.58
▸ DDX3X O00571 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ NCOA1 Q15788 1/20 0.55

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
SCHEMBL5287845 1.00 MAPT (0.65) MAPTXBP1MAPK1KMT2AMEN1
SCHEMBL14625231 0.88 MAPT (0.60) MAPTXBP1MAPK1KMT2AMEN1
SCHEMBL12008920 0.81 FFAR1 (0.64) MAPTMAPK1KMT2AMEN1NPC1
SCHEMBL12008788 0.80 MAPT (0.87) MAPTXBP1MAPK1KMT2AMEN1
SCHEMBL12008760 0.77 KMT2A (0.90) MAPTXBP1MAPK1KMT2AMEN1
SCHEMBL12008758 0.76 MAPT (1.00) MAPTKMT2AMEN1NPC1POLB
SCHEMBL12008419 0.76 KMT2A (1.00) MAPTXBP1MAPK1KMT2AMEN1
SCHEMBL5992046 0.76 MEN1 (1.00) MAPTXBP1MAPK1KMT2AMEN1
SCHEMBL12008879 0.76 KMT2A (0.62) MAPTKMT2AMEN1NPC1POLB
SCHEMBL19736098 0.75 MAPT (0.81) MAPTXBP1MAPK1KMT2AMEN1

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
WO-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 — — WO claimed
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