SCHEMBL28106982

SCHEMBL28106982

O=COCc1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.64
MRGPRX4 Q96LA9 1/20 0.49
MGLL Q99685 1/20 0.46
PTPN5 P54829 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ESR2 Q92731 1/20 0.40
AR P10275 1/20 0.39
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL5540736 0.86 AGXT (0.59) AGXTMRGPRX4MGLL
SCHEMBL28107030 0.84 FFAR1 (0.50) AGXTMRGPRX4PTPN5MAOAMAOB
SCHEMBL95134 0.81 IDO1 (0.58) AGXTTAAR1MAOAMAOB
SCHEMBL15677919 0.81 PRKCI (0.56) AGXTMGLL
SCHEMBL27860858 0.79 TSHR (0.43) AGXTMGLLMAOAMAOBAR
SCHEMBL11394076 0.78 MAOB (0.39) AGXTMAOAMAOB
SCHEMBL28067598 0.77 AGXT (0.46) AGXTMRGPRX4MGLLMAOAMAOB
SCHEMBL95539 0.77 IDO1 (0.52) AGXTMAOAMAOB
SCHEMBL20493836 0.75 AGXT (0.65) AGXTMRGPRX4MGLLPTPN5TAAR1
SCHEMBL15164027 0.75 PPARA (0.48) MRGPRX4MGLL

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
CN-106029633-A Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof 国立大学法人筑波大学 2016-10-12 CN disclosed