SCHEMBL4724241

SCHEMBL4724241

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCCC4=O)ccc3S(C)(=O)=O)c(=O)c3ncccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.35
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
PIP4K2A P48426 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 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
SCHEMBL4719881 0.91 F10 (0.38) F10GAA
SCHEMBL4722942 0.88 MEN1 (0.31) KMT2AGAAMEN1JAK2JAK1
SCHEMBL4722896 0.88 TRPV1 (0.32)
SCHEMBL4721138 0.87 JAK2 (0.34) KMT2AALDH1A1MEN1JAK2JAK1
SCHEMBL4722717 0.87 MAPT (0.42) KMT2AALDH1A1MEN1JAK2JAK1
SCHEMBL4720565 0.85 ENPP2 (0.37) KMT2AMEN1
SCHEMBL4719259 0.84 L3MBTL1 (0.33) JAK2JAK1TYK2
SCHEMBL4722421 0.84 SLC40A1 (0.33) KMT2AMEN1
SCHEMBL4719872 0.84 SLC40A1 (0.33) KMT2AMEN1
SCHEMBL4719871 0.84 SLC40A1 (0.33) KMT2AMEN1

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