SCHEMBL366107

SCHEMBL366107

Cc1ccccc1COC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 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
MAOB P27338 2/20 0.37
SLC2A1 P11166 1/20 0.36
SLC26A4 O43511 1/20 0.35
ADORA2A P29274 1/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL365494 0.88 CASP3 (0.39) MAPTL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL365359 0.88 ALDH1A1 (0.47) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL364902 0.86 ALDH1A1 (0.40) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL364734 0.86 LMNA (0.40) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL365618 0.86 L3MBTL1 (0.39) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL366106 0.85 ALDH1A1 (0.55) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL365579 0.84 MAOB (0.38) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL366244 0.84 PSEN1 (0.41) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL366935 0.84 ALDH1A1 (0.39) MAPTL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL364973 0.83 KMT2A (0.42) MAPTL3MBTL1TSHRKDM4EALDH1A1

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