SCHEMBL4086850

SCHEMBL4086850

O=C(COC(=O)CNc1nc(-c2ccc(Br)cc2)cs1)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KMT2A Q03164 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
MEN1 O00255 5/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 1/20 0.55
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
TP53 P04637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RECQL P46063 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 0.85 MAPT (0.65) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4086849 0.80 SMN1; SMN2 (0.60) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4408570 0.79 GAA (0.61) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4487938 0.79 GAA (0.61) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL7930002 0.78 GAA (0.60) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL10921733 0.76 KMT2A (0.68) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL21484734 0.75 ABL1 (0.69) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL12527532 0.73 ABL1 (0.74) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL23704807 0.73 LMNA (0.54) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL28673842 0.72 MEN1 (0.62) MAPTKMT2ASMN1; SMN2MEN1MAPK1

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