SCHEMBL366998

SCHEMBL366998

CN(C)S(=O)(=O)c1ccc2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
APAF1 O14727 1/20 0.40
G6PD P11413 1/20 0.40
PABPC1 P11940 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL366461 0.90 HTT (0.46) HTTMAPK1MEN1KMT2AALDH1A1
SCHEMBL367706 0.87 BAZ2B (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL364786 0.86 IDO1 (0.46) HTTMAPK1MEN1KMT2AALDH1A1
SCHEMBL364652 0.85 CA2 (0.40) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL366999 0.81 EGFR (0.42) HTTMAPK1MEN1KMT2AALDH1A1
SCHEMBL366740 0.80 KDM4E (0.36) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL365916 0.80 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL367763 0.79 BAZ2B (0.45) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL367200 0.78 KDM4E (0.55) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL367329 0.77 BAZ2B (0.47) MEN1KMT2AALDH1A1KDM4EMAPT

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed