SCHEMBL3909101

SCHEMBL3909101

COc1ccc(N)c2c1-c1cscc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ADORA2A P29274 4/20 0.64
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
POLB P06746 3/20 0.64
THRB P10828 2/20 0.64
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
FGB P02675 1/20 0.64
PPARG P37231 1/20 0.64
NCOA2 Q15596 1/20 0.64
NCOA1 Q15788 1/20 0.64
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
DUSP3 P51452 1/20 0.47
CSNK1A1 P48729 2/20 0.43

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
SCHEMBL3898322 0.80 ADORA2A (0.48) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL498594 0.79 ALDH1A1 (0.76) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL498449 0.79 ALDH1A1 (0.76) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL11243983 0.79 ALDH1A1 (0.76) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL2303569 0.78 MAPT (1.00) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL3904558 0.77 RAB9A (0.44) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL11246302 0.75 ALDH1A1 (0.66) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL3902071 0.75 ADORA2A (0.61) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL3900138 0.74 MAPT (0.41) MAPTMEN1KMT2AADORA2ARAB9A
SCHEMBL498666 0.74 MEN1 (0.79) MAPTMEN1KMT2AADORA2ARAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP claimed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP claimed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed