SCHEMBL4233489

SCHEMBL4233489

COc1ccc(C=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
UBE2N P61088 1/20 0.48
HTR6 P50406 6/20 0.43
ALDH1A1 P00352 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BRD4 O60885 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
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
SCHEMBL3622058 0.89 HTR6 (0.55) KDM4EUBE2NHTR6ALDH1A1PDE4A
SCHEMBL31248532 0.79 HTR6 (0.43) KDM4EUBE2NHTR6PDE4APDE4B
SCHEMBL4234116 0.79 HTR6 (0.45) HTR6ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4235468 0.79 HTR6 (0.44) KDM4EHTR6ALDH1A1PDE4APDE4B
SCHEMBL3611396 0.78 HTR6 (0.54) HTR6ALDH1A1PDE4APDE4BPDE4C
SCHEMBL4235902 0.76 HTR6 (0.41) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL23212225 0.76 BRD4 (0.53) KDM4EUBE2NHTR6ALDH1A1RAPGEF4
SCHEMBL12359757 0.74 PPARG (0.55) KDM4EHTR6ALDH1A1PDE4APDE4B
SCHEMBL29875473 0.74 KDM4E (0.71) KDM4EUBE2NHTR6MEN1KMT2A
SCHEMBL1419196 0.74 KDM4E (0.71) KDM4EUBE2NHTR6MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed