SCHEMBL4086849

SCHEMBL4086849

CC(=O)OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1.Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPK1 P28482 3/20 0.60
LMNA P02545 3/20 0.60
RAB9A P51151 6/20 0.55
NPC1 O15118 4/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL4075045 0.94 MAPT (0.65) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL4086850 0.80 MAPT (0.59) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL4408570 0.77 GAA (0.61) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL4487938 0.77 GAA (0.61) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL12527532 0.77 ABL1 (0.74) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL7930002 0.76 GAA (0.60) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL10921733 0.74 KMT2A (0.68) SMN1; SMN2MAPTKMT2AMEN1MAPK1
Acetic Acid Methyl Ester SCHEMBL9550225 0.74 MAPT (0.59) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL21484734 0.73 ABL1 (0.69) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL28673842 0.72 MEN1 (0.62) SMN1; SMN2MAPTKMT2AMEN1MAPK1

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