SCHEMBL4235902

SCHEMBL4235902

COc1ccc(CC#N)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.41
RAPGEF4 Q8WZA2 1/20 0.37
BRD4 O60885 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 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
SCHEMBL4235468 0.85 HTR6 (0.44) HTR6RAPGEF4BRD4L3MBTL1PDE4A
SCHEMBL4234116 0.85 HTR6 (0.45) HTR6RAPGEF4L3MBTL1PDE4APDE4B
SCHEMBL31321816 0.84 CA1 (0.39) HTR6RAPGEF4BRD4L3MBTL1MEN1
SCHEMBL4233489 0.76 KDM4E (0.48) HTR6RAPGEF4BRD4L3MBTL1PDE4A
SCHEMBL6753718 0.76 HTR6 (0.61) HTR6
SCHEMBL30275069 0.76 HTR6 (0.45) HTR6RAPGEF4L3MBTL1MEN1KMT2A
SCHEMBL5998134 0.74 HTR6 (0.54) HTR6L3MBTL1PDE4APDE4BPDE4C
SCHEMBL4225953 0.74 HTR6 (0.35) HTR6BRD4MEN1KMT2APKM
SCHEMBL12359757 0.70 PPARG (0.55) HTR6RAPGEF4L3MBTL1PDE4APDE4B
SCHEMBL3623475 0.70 HTR6 (0.53) HTR6MEN1KMT2A

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