SCHEMBL16622982

SCHEMBL16622982

CC[S@+]([O-])c1ccncc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
PDE10A Q9Y233 4/20 0.33
PTGS2 P35354 2/20 0.33
CYP17A1 P05093 1/20 0.33
PDE2A O00408 2/20 0.31
PDE7A Q13946 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE6D O43924 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 1/20 0.30
PDE6B P35913 1/20 0.30
PDE6C P51160 1/20 0.30
PDE6H Q13956 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
SCHEMBL16611913 1.00 POLB (0.42) POLBPDE10APTGS2CYP17A1PDE2A
SCHEMBL116987 0.92 POLB (0.42) POLBPDE10APTGS2CYP17A1PDE2A
SCHEMBL15412786 0.88 POLB (0.43) POLBPDE10APDE2AGRIN1GRIN2B
SCHEMBL16803693 0.86 PDE10A (0.35) POLBPDE10ASMN1; SMN2
SCHEMBL10280728 0.85 POLB (0.43) POLBPDE10APDE2AGRIN1GRIN2B
SCHEMBL17824437 0.84 POLB (0.42) POLBPDE10APTGS2
SCHEMBL10281047 0.84 POLB (0.42) POLBPDE10APDE2A
SCHEMBL10280733 0.83 POLB (0.41) POLBPDE2A
SCHEMBL10281057 0.83 POLB (0.41) POLBPDE2ASMN1; SMN2
SCHEMBL16612300 0.82 POLB (0.42) POLBPDE10APTGS2PDE2ASMN1; SMN2

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-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 EP disclosed