SCHEMBL365579

SCHEMBL365579

Cc1cccc(COC(=O)c2c3ccccc3n3cc(OCC#N)ccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
UBA2 Q9UBT2 2/20 0.37
APAF1 O14727 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL367137 0.90 ALOX5 (0.40) MAOBMMP2MMP9MMP12ALDH1A1
SCHEMBL364734 0.90 LMNA (0.40) MAOBMMP2MMP9MMP12MAPT
SCHEMBL365618 0.89 L3MBTL1 (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365578 0.86 KMT2A (0.53) MAOBMMP2MMP9MMP12MAPT
SCHEMBL364182 0.85 MAOB (0.46) MAOBMAPTALDH1A1KDM4EMEN1
SCHEMBL365359 0.85 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL364902 0.84 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL365200 0.84 TP53 (0.40) MAOBMMP2MMP9MMP12MAPT
SCHEMBL366107 0.84 MAPT (0.39) MAOBMAPTALDH1A1KDM4EMEN1
SCHEMBL364749 0.82 ESR1 (0.38) MMP2MMP9MMP12MAPTALDH1A1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed