SCHEMBL4079223

SCHEMBL4079223

CCCC(CO)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
ALDH1A1 P00352 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 9/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 4/20 0.41
SREBF2 Q12772 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.40
ATM Q13315 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
SCHEMBL4076677 1.00 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL3863102 1.00 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL3972543 0.90 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4500517 0.90 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4075123 0.90 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL3170512 0.82 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4075012 0.82 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4077819 0.82 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4078193 0.81 MAPT (0.52) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4078208 0.79 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1NPSR1

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
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed