SCHEMBL11320145

SCHEMBL11320145

O=C(Br)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.68
MGLL Q99685 14/20 0.62
FAAH O00519 5/20 0.62
HSP90AA1 P07900 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 2/20 0.54
CACNA1B Q00975 2/20 0.54
APBA1 Q02410 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
NSD2 O96028 1/20 0.47
G6PD P11413 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
BCHE P06276 1/20 0.47
LMNA P02545 1/20 0.46
CCR6 P51684 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
SCHEMBL331470 0.83 DDAH1 (0.73) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL235166 0.81 DDAH1 (1.00) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL10968265 0.80 DDAH1 (0.63) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL8463151 0.79 DDAH1 (0.68) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL1822680 0.79 DDAH1 (0.96) DDAH1MGLLFAAHHSP90AA1TDP1
Hydrochloric Acid SCHEMBL9278333 0.79 DDAH1 (0.96) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL398038 0.79 DDAH1 (0.68) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL371252 0.79 DDAH1 (0.68) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL95324 0.79 MGLL (1.00) DDAH1MGLLFAAHHSP90AA1TDP1
SCHEMBL3339259 0.79 DDAH1 (0.61) DDAH1MGLLFAAHHSP90AA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4269966-A A MIXTURE OF AN ACRYLIC COMPOUND CONTAINING IMIDE, AMIDE, AND AN AMINE GROUP; MOLDING MATERIAL; CROSSLINKED, INSOLUBLE, INFUSIBLE POLYMER TECHNOCHEMIE GMBH VERFAHRENSTECHNIK (DE) 1981-05-26 US disclosed
US-4239883-A INFUSIBLE AND INSOLUBLE TECHNOCHEMIE GMBH VERFAHRENSTECHNIK (DE) 1980-12-16 US disclosed