SCHEMBL3950210

SCHEMBL3950210

C#CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.76
L3MBTL1 Q9Y468 4/20 0.72
MAPT P10636 7/20 0.68
HTT P42858 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL1645318 0.86 THRB (1.00) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1644187 0.84 L3MBTL1 (1.00) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1645186 0.83 MAPT (0.78) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1646235 0.82 L3MBTL1 (0.78) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1645686 0.82 THRB (0.74) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1645408 0.82 L3MBTL1 (0.86) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1647382 0.81 L3MBTL1 (0.77) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1647570 0.81 L3MBTL1 (0.77) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1646720 0.81 THRB (0.69) THRBL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL1645537 0.81 MAPT (1.00) THRBL3MBTL1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP claimed