SCHEMBL2334859

SCHEMBL2334859

Fc1[c]cc(-c2ccc(F)c(Cl)c2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.42
PTGS1 P23219 4/20 0.42
EPHB4 P54760 2/20 0.38
NISCH Q9Y2I1 1/20 0.37
TDP2 O95551 1/20 0.36
PIK3CA P42336 2/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
RPA1 P27694 1/20 0.36
KDR P35968 1/20 0.35
KMO O15229 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
AHR P35869 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
SCHEMBL7980055 0.74 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL28445344 0.70 PTGS2 (0.43) PTGS2PTGS1EPHB4NISCHTDP2
SCHEMBL1275684 0.70 PTGS2 (0.35) PTGS2PTGS1KMOAHR
SCHEMBL27707582 0.70 PTGS2 (0.43) PTGS2PTGS1EPHB4NISCHTDP2
SCHEMBL14880521 0.70 CTSL (0.34)
SCHEMBL6781345 0.70
SCHEMBL31067152 0.68 PTGS2 (0.58) PTGS2PTGS1EPHB4NISCHADORA2A
SCHEMBL20898128 0.68 PTGS2 (0.58) PTGS2PTGS1EPHB4NISCHADORA2A
SCHEMBL694819 0.67 PTGS2 (0.43) PTGS2PTGS1EPHB4NISCHTDP2
SCHEMBL8210186 0.67 RPA1 (0.40) PTGS2PTGS1EPHB4NISCHTDP2

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-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed