SCHEMBL9900332

SCHEMBL9900332

CC(C)=COc1ccccc1OCI

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
MAPT P10636 2/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 2/20 0.32
APP P05067 1/20 0.32
AGTR1 P30556 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4370639 0.84 CA1 (0.39) LMNAMAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL12853879 0.76 CA1 (0.56) LMNAMAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL10640071 0.72 TP53 (0.52) LMNAMAPTJAK2GAASMN1; SMN2
SCHEMBL12853863 0.72 KMT2A (0.41) LMNAMAPTSMN1; SMN2GLAKDM4E
SCHEMBL9901000 0.72 SMN1; SMN2 (0.42) LMNAMAPTJAK2GAASMN1; SMN2
SCHEMBL4648915 0.71 CA12 (0.62) LMNASMN1; SMN2L3MBTL1POLBMTNR1A
SCHEMBL11837900 0.71 ALDH1A1 (0.56) MAPTGAAL3MBTL1GLAKDM4E
SCHEMBL9900020 0.68 APP (0.39) LMNAMAPTJAK2GAASMN1; SMN2
SCHEMBL9157736 0.68 ALDH1A1 (0.39) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL7795831 0.68 TDP1 (0.42) LMNAMAPTGAAKDM4EALDH1A1

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