SCHEMBL10066968

SCHEMBL10066968

CCc1ccc(OC)c(Cn2cccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KAT7 O95251 5/20 0.49
KAT6B Q8WYB5 5/20 0.49
KAT6A Q92794 5/20 0.49
MAPT P10636 4/20 0.49
KAT5 Q92993 2/20 0.48
KAT8 Q9H7Z6 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PDE4B Q07343 1/20 0.46
USP2 O75604 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL4345848 0.89 KMT2A (0.54) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL10053919 0.84 MEN1 (0.50) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL10022368 0.81 L3MBTL1 (0.49) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL28853149 0.80 ADRB2 (0.54) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL22031236 0.79 L3MBTL1 (0.53) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL4354266 0.79 HTT (0.56) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL22031238 0.78 L3MBTL1 (0.54) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL554165 0.78 MEN1 (0.49) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL23631850 0.77 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL20069807 0.77 L3MBTL1 (0.57) KMT2AMEN1ALDH1A1L3MBTL1NPSR1

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
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed