SCHEMBL9900823

SCHEMBL9900823

CCCOc1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 2/20 0.56
HSPB1 P04792 2/20 0.50
MAPT P10636 12/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 5/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL12594090 0.92 L3MBTL1 (0.57) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL13720426 0.88 L3MBTL1 (0.56) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL29437987 0.85 L3MBTL1 (0.59) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL12593964 0.85 L3MBTL1 (0.59) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL13720843 0.85 L3MBTL1 (0.54) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL29437962 0.85 L3MBTL1 (0.53) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL1978325 0.85 L3MBTL1 (0.53) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL13720336 0.83 MAPT (0.55) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL29438001 0.83 MAPT (0.55) L3MBTL1GAAHSPB1MAPTALDH1A1
SCHEMBL10352701 0.82 CYP19A1 (0.55) GAAMAPTALDH1A1NPSR1HTT

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-2649066-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2013-10-16 EP disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed