SCHEMBL367103

SCHEMBL367103

CN(C)Cc1ccc2c(C(=O)OCc3ccccc3)c3ccccc3n2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AGTR1 P30556 1/20 0.38
TSPO P30536 1/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL367102 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL365839 0.78 ALDH1A1 (0.54) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL366971 0.75 MAPT (0.48) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL365618 0.75 L3MBTL1 (0.39) ALDH1A1MAPTKMT2ATDP1SLC6A2
SCHEMBL366408 0.74 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL366763 0.74 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ATDP1SLC6A3
SCHEMBL365432 0.73 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL365411 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ATDP1KDM4E
SCHEMBL367492 0.72 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL364887 0.72 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKMT2ATDP1

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