SCHEMBL19953166

SCHEMBL19953166

Fc1ccc(F)c(-c2c(Cl)nc(Cl)n2-c2ccc(OC(F)(F)F)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 1/20 0.38
TRPV4 Q9HBA0 4/20 0.36
ADRB3 P13945 1/20 0.35
TSPO P30536 1/20 0.35
GRM5 P41594 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR35 Q9HC97 1/20 0.35
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
CHRNA7 P36544 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
SCHEMBL1076433 0.84 KCNH2 (0.35) L3MBTL1POLBKCNH2MAPT
SCHEMBL1075012 0.74 KDM4E (0.34)
SCHEMBL19953168 0.73 SMN1; SMN2 (0.36) POLBPTGS2
SCHEMBL1074169 0.73 NPC1 (0.41) L3MBTL1KCNH2MAPT
SCHEMBL1075665 0.72 PTGS2 (0.34) PTGS2MAPT
SCHEMBL1075463 0.70 POLB (0.41) POLBGRM5
SCHEMBL1075285 0.70 POLB (0.35) POLBKCNH2MAPT
SCHEMBL19953120 0.69 USP2 (0.38) PTGS2TRPV4
SCHEMBL1074799 0.69 GLA (0.39) POLBPTGS2
SCHEMBL1073917 0.69 KCNH2 (0.36) POLBKCNH2MAPT

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
WO-2018048969-A1 MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-03-15 WO disclosed