SCHEMBL9720879

SCHEMBL9720879

O=C1C=CC(=O)N1c1ccc(NCNc2ccc(N3C(=O)C=CC3=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.62
FAAH O00519 6/20 0.62
HSP90AA1 P07900 3/20 0.58
TDP1 Q9NUW8 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
DDAH1 O94760 1/20 0.47
BCHE P06276 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CCR6 P51684 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL12321793 0.80 HSP90AA1 (0.84) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL95324 0.79 MGLL (1.00) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL7772704 0.77 MGLL (0.65) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL15811642 0.77 MGLL (0.65) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL31031903 0.76 MGLL (0.47) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL5580375 0.73 MGLL (0.60) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL28578280 0.73 MGLL (0.60) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL571682 0.73 HSP90AA1 (1.00) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL19511560 0.72 MGLL (0.83) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL21630074 0.72 MGLL (0.83) MGLLFAAHHSP90AA1TDP1PKM

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-0502345-A1 Polyarylene sulfide with improved flash and good mechanical properties BAYER AG (DE) 1992-09-09 EP disclosed