SCHEMBL4828043

SCHEMBL4828043

CON=C(c1nc2c(OC)cccc2s1)[C@H]1CC[C@H](N(Cc2ccc3c(n2)SC(=O)CN3)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4709824 0.92 MAPT (0.35) MAPTTP53NR1H4KDM4EMEN1
SCHEMBL2207550 0.82 NR1H4 (0.32) MAPTTP53NR1H4
SCHEMBL2207549 0.82 NR1H4 (0.32) MAPTTP53NR1H4
SCHEMBL2207545 0.82 NR1H4 (0.32) MAPTTP53NR1H4
SCHEMBL2205300 0.73 NR1H4 (0.34) MAPTTP53NR1H4KDM4EMEN1
SCHEMBL2205293 0.73 NR1H4 (0.34) MAPTTP53NR1H4KDM4EMEN1
SCHEMBL2205352 0.66 PDE4B (0.32) MAPTTP53
SCHEMBL2205359 0.66 PDE4B (0.32) MAPTTP53
SCHEMBL2207542 0.65
SCHEMBL2205753 0.63 KCNH2 (0.40)

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-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP disclosed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 WO disclosed