SCHEMBL1838889

SCHEMBL1838889

O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 1.00
FAAH O00519 8/20 1.00
HSP90AA1 P07900 4/20 0.72
ALDH1A1 P00352 1/20 0.69
PKM P14618 1/20 0.69
HTT P42858 1/20 0.69
ATM Q13315 1/20 0.69
HPN P05981 1/20 0.62
CCR6 P51684 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL94730 1.00 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL30958998 0.97 MGLL (0.95) MGLLFAAHHSP90AA1ALDH1A1PKM
Water SCHEMBL5808596 0.95 MGLL (0.91) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL3179484 0.88 MGLL (0.88) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL16407523 0.87 MGLL (0.76) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL13788605 0.87 MGLL (0.76) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL2847212 0.86 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL24452764 0.84 MGLL (0.72) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL9838012 0.84 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL139055 0.84 MGLL (0.72) MGLLFAAHHSP90AA1ALDH1A1PKM

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
EP-2322691-A1 IRON ALLOY ARTICLE, IRON ALLOY MEMBER, AND METHOD FOR PRODUCING THE IRON ALLOY ARTICLE Advanced Technologies, Inc. (JP) 2011-05-18 EP disclosed