SCHEMBL4720565

SCHEMBL4720565

CC(=O)N1CCN(c2ccc(S(C)(=O)=O)c(-n3nc(-c4cc(C)cc(-c5cnco5)c4)c4cccnc4c3=O)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
WNT3A P56704 1/20 0.34
CYP17A1 P05093 6/20 0.33
CYP21A2 P08686 6/20 0.33
CYP11B1 P15538 6/20 0.33
SMO Q99835 1/20 0.32
TDP2 O95551 1/20 0.32
MAPT P10636 2/20 0.32
FLT3 P36888 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
HTR6 P50406 1/20 0.32
JAK3 P52333 1/20 0.32
CHEK1 O14757 1/20 0.31
NCF1 P14598 1/20 0.31
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL4721138 0.91 JAK2 (0.34) SMOMAPTMEN1LMNAKMT2A
SCHEMBL4722717 0.90 MAPT (0.42) MAPTMEN1LMNAKMT2AHTT
SCHEMBL4722942 0.88 MEN1 (0.31) MAPTMEN1LMNAKMT2A
SCHEMBL4719872 0.87 SLC40A1 (0.33) MAPTMEN1LMNAKMT2A
SCHEMBL4719871 0.87 SLC40A1 (0.33) MAPTMEN1LMNAKMT2A
SCHEMBL4722421 0.87 SLC40A1 (0.33) MAPTMEN1LMNAKMT2A
SCHEMBL4724241 0.85 F10 (0.35) MEN1KMT2A
SCHEMBL4719881 0.84 F10 (0.38)
SCHEMBL4722289 0.84 IMPDH2 (0.36)
SCHEMBL4719259 0.83 L3MBTL1 (0.33) LMNA

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed