SCHEMBL7609673

SCHEMBL7609673

O=C1C=CC(=O)N1c1cccc(F)c1F

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.70
TLR9 Q9NR96 2/20 0.58
FAAH O00519 4/20 0.46
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
CCR6 P51684 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL29510492 0.83 MGLL (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL3169850 0.83 MGLL (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL4142552 0.81 MGLL (0.55) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL29377102 0.74 TLR9 (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL121404 0.74 TLR9 (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL31179969 0.73 TLR9 (0.68) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL3277562 0.73 TLR9 (0.68) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL635306 0.73 TLR9 (0.68) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL144793 0.71 MGLL (0.65) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL9374458 0.70 MGLL (0.51) MGLLTLR9FAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726252-B1 Process for the preparation of N-substituted cyclic imides BAYER AG (DE) 2002-04-17 EP disclosed
US-5773630-A REACTION OF ANHYDRIDE WITH PRIMARY AMINE TO FORM CYCLIC IMIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
EP-0726252-A1 Process for the preparation of N-substituted cyclic imides BAYER AG (DE) 1996-08-14 EP disclosed