SCHEMBL366383

SCHEMBL366383

CC(=O)c1ccc2c(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)c3ccccc3n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
PTGER4 P35408 4/20 0.38
LMNA P02545 4/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
AGTR1 P30556 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
SCHEMBL366210 0.93 HPGD (0.47) HPGDPTGER4LMNAPOLBKDM4E
SCHEMBL365441 0.86 ALDH1A1 (0.40) HPGDLMNAKDM4EHDAC6SMN1; SMN2
SCHEMBL366060 0.84 LMNA (0.42) HPGDLMNAKDM4EP4HTMMEN1
SCHEMBL365520 0.84 POLB (0.46) HPGDPTGER4LMNAPOLBKDM4E
SCHEMBL366382 0.84 HPGD (0.38) HPGDPTGER4LMNAPOLBTHRB
SCHEMBL366253 0.83 ALDH1A1 (0.45) HPGDPTGER4LMNAKDM4EMEN1
SCHEMBL366978 0.81 SCN9A (0.45) HPGDKDM4E
SCHEMBL364816 0.81 ALDH1A1 (0.41) HPGDPTGER4KDM4EAGTR1
SCHEMBL367074 0.81 LMNA (0.39) PTGER4LMNAPOLBTHRBMEN1
SCHEMBL365932 0.78 ALDH1A1 (0.48) HPGDPTGER4MAPT

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