SCHEMBL1647405

SCHEMBL1647405

O=C(C(=O)N(c1ccccc1)c1ccc(Cl)cc1Cl)c1c(-c2cccnc2)cc2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 5/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
LMNA P02545 4/20 0.35
KLK7 P49862 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MARS1 P56192 3/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4638493 0.82 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1645663 0.80 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL3883314 0.78 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1646858 0.77 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL3886464 0.76 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1645449 0.74 KMT2A (0.51) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1645621 0.72 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL3886808 0.72 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1644594 0.72 ALDH1A1 (0.54) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL4552896 0.72 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1THRBMAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed