SCHEMBL8865628

SCHEMBL8865628

O/N=C(\Cc1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
CTBP2 P56545 1/20 0.52
XDH P47989 2/20 0.44
TLR4 O00206 1/20 0.44
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
DRD4 P21917 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7423263 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL4586342 0.90 ALDH1A1 (0.51) SMN1; SMN2KDM4ECTBP2XDHALDH1A1
SCHEMBL4586337 0.90 ALDH1A1 (0.51) SMN1; SMN2KDM4ECTBP2XDHALDH1A1
SCHEMBL28291535 0.90 CTBP2 (0.51) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL23410797 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL5095734 0.87 L3MBTL1 (0.47) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL6091876 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL6091878 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL4459267 0.87 L3MBTL1 (0.47) SMN1; SMN2KDM4ECTBP2XDHTLR4
SCHEMBL4459265 0.87 L3MBTL1 (0.47) SMN1; SMN2KDM4ECTBP2XDHTLR4

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
US-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed