SCHEMBL4259340

SCHEMBL4259340

O=C(O)Nc1cccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CNR1 P21554 1/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
SLC12A2 P55011 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC12A5 Q9H2X9 1/20 0.37

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
SCHEMBL4563209 0.87 KMT2A (0.42) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL4087454 0.87 ALDH1A1 (0.36) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL4252376 0.87 ALDH1A1 (0.53) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL1554744 0.85 HSD17B10 (0.47) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1554791 0.84 ALDH1A1 (0.46) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL1554631 0.82 LMNA (0.42) ALDH1A1MEN1KMT2AGAARXFP1
SCHEMBL1553982 0.80 ALDH1A1 (0.52) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL1554635 0.79 MEN1 (0.48) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL1553944 0.78 POLB (0.44) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL1553830 0.78 TNF (0.44) POLBMEN1KMT2A

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 3 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 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