SCHEMBL17351191

SCHEMBL17351191

[2H]C([2H])([2H])c1cc(Cl)cc(Cl)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SPR P35270 4/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ TSHR P16473 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LIN28A Q9H9Z2 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ AKR1C4 P17516 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL3922931 0.86 POLB (0.53) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL1002836 0.80 ALDH1A1 (0.43) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL4639194 0.76 POLB (0.59) POLBL3MBTL1KMT2ATSHRLMNA
SCHEMBL366927 0.72 CYP3A4 (0.44) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL17350918 0.72 L3MBTL1 (0.38) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL31145307 0.72 L3MBTL1 (0.38) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL17351119 0.71 SPR (0.40) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL4639714 0.71 POLB (0.53) POLBL3MBTL1KMT2ATSHRLMNA
SCHEMBL4046581 0.71 GRM2 (0.40) POLBL3MBTL1SPRKMT2ATSHR
SCHEMBL17351004 0.70 KDM4E (0.42) POLBL3MBTL1KMT2ALMNAMAPT

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-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 — — EP claimed
Send feedback