SCHEMBL4438475

SCHEMBL4438475

Fc1cc(Br)cc2c1NCC2.Fc1cccc2c1NCC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.37
PARP11 Q9NR21 3/20 0.37
PARP1 P09874 3/20 0.34
HTR5A P47898 1/20 0.33
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
SRC P12931 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
GRM5 P41594 1/20 0.32
PDPK1 O15530 1/20 0.31

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
SCHEMBL2880311 0.88 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL515124 0.85 HTR5A (0.42) PARP10PARP11PARP1HTR5APNMT
Hydrochloric Acid SCHEMBL31599518 0.83 HTR5A (0.41) PARP10PARP11PARP1HTR5APNMT
SCHEMBL3115966 0.74 SRC (0.53) HTR5ASRC
SCHEMBL31722113 0.70 PARP1 (0.42) PARP10PARP11PARP1HTR5ASRC
SCHEMBL4870530 0.70 PARP10 (0.43) PARP10PARP11PARP1PNMTASIC3
SCHEMBL2261586 0.70 PARP10 (0.39) PARP10PARP11PARP1GRM5
SCHEMBL652655 0.70 PARP10 (0.43) PARP10PARP11PARP1PNMTSRC
SCHEMBL3956228 0.67 PARP1 (0.33) PARP10PARP1
SCHEMBL4869350 0.67 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121657-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-11-25 EP disclosed
WO-2008109056-A1 SULFONYLATED HETEROCYCLES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO disclosed