SCHEMBL1646822

SCHEMBL1646822

CC1(C)CCCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 5/20 0.49
MAPT P10636 7/20 0.47
HTT P42858 5/20 0.47
ALDH1A1 P00352 8/20 0.42
LMNA P02545 4/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 3/20 0.38
GRM5 P41594 1/20 0.38
HIF1A Q16665 1/20 0.38
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL1645272 0.85 SMN1; SMN2 (0.60) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646096 0.85 SMN1; SMN2 (0.60) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646824 0.80 SMN1; SMN2 (0.55) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL20847069 0.79 SMN1; SMN2 (0.53) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646027 0.78 SMN1; SMN2 (0.57) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646486 0.77 SMN1; SMN2 (0.56) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1644537 0.77 SMN1; SMN2 (0.59) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646339 0.76 SMN1; SMN2 (0.49) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1645698 0.76 SMN1; SMN2 (0.58) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL3890455 0.75 SMN1; SMN2 (0.50) SMN1; SMN2THRBL3MBTL1MAPTHTT

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-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP claimed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO claimed