SCHEMBL13075451

SCHEMBL13075451

CN(C)S(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
GPBAR1 Q8TDU6 9/20 0.38
PTGS2 P35354 3/20 0.35
TACR1 P25103 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE2A O00408 2/20 0.33
PDE7A Q13946 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL116514 0.89 POLB (0.41) POLBGPBAR1PTGS2PDE2APDE7A
SCHEMBL10284733 0.88 PTGS2 (0.42) POLBPTGS2ALDH1A1PDE2APDE7A
SCHEMBL10284408 0.88 POLB (0.41) POLBMAPTGPBAR1PTGS2LMNA
SCHEMBL355701 0.87 POLB (0.45) POLBPTGS2PDE2APDE7APDE10A
SCHEMBL10249035 0.86 BRD4 (0.36) POLBSMN1; SMN2PDE10A
SCHEMBL10284538 0.86 POLB (0.40) POLBGPBAR1PTGS2ALDH1A1LMNA
SCHEMBL16380358 0.82 POLB (0.44) POLBGPBAR1TACR1ALDH1A1GAA
SCHEMBL357857 0.81 PDE10A (0.48) POLBGPBAR1PTGS2SMN1; SMN2PDE2A
SCHEMBL16612050 0.80 POLB (0.45) POLBPTGS2PDE10APTGS1CYP17A1
SCHEMBL116863 0.80 POLB (0.43) POLBGPBAR1SMN1; SMN2PDE2APDE7A

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-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 WO disclosed