SCHEMBL2962340

SCHEMBL2962340

CCOC(=O)C(C)Sc1ccc(-c2nc(=O)c3ccccc3s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PRNP P04156 1/20 0.43
TSHR P16473 4/20 0.42
ATM Q13315 1/20 0.42
GABRA1 P14867 2/20 0.40
MIF P14174 1/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 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
SCHEMBL4197061 0.82 KDM4E (0.40) ALDH1A1MAPTTDP1L3MBTL1GABRA1
SCHEMBL13199750 0.82 MAPT (0.49) ALDH1A1MAPTLMNAL3MBTL1PRNP
SCHEMBL2956556 0.78 MIF (0.45) ALDH1A1MAPTLMNAL3MBTL1TSHR
SCHEMBL2962468 0.78 MIF (0.51) ALDH1A1MAPTTDP1LMNAL3MBTL1
SCHEMBL2955526 0.77 GABRA1 (0.48) ALDH1A1MAPTLMNAGABRA1MIF
SCHEMBL13199741 0.77 MIF (0.43) ALDH1A1MAPTLMNAL3MBTL1TSHR
SCHEMBL2958056 0.75 HDAC1 (0.40) MAPTL3MBTL1GABRA1MIFKDM4E
SCHEMBL2964410 0.74 GABRA1 (0.43) ALDH1A1MAPTTDP1LMNAGABRA1
SCHEMBL13199735 0.74 MIF (0.45) ALDH1A1MAPTTDP1LMNAL3MBTL1
SCHEMBL2959066 0.74 GABRA1 (0.50) ALDH1A1MAPTLMNAL3MBTL1GABRA1

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-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed