SCHEMBL5943119

SCHEMBL5943119

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 5/20 0.42
PADI4 Q9UM07 5/20 0.42
PADI2 Q9Y2J8 4/20 0.42
PDE4A P27815 3/20 0.42
PADI3 Q9ULW8 3/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PADI6 Q6TGC4 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
GRIA1 P42261 1/20 0.38
KISS1R Q969F8 1/20 0.37

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
SCHEMBL9662910 1.00 PADI1 (0.42) PADI1PADI4PADI2PDE4APADI3
SCHEMBL7381619 0.86 KISS1R (0.47) GRIA1KISS1R
SCHEMBL7156268 0.84 CA1 (0.40) PADI1PADI4PADI2PDE4APADI3
SCHEMBL11328555 0.83 PADI1 (0.42) PADI1PADI4PADI2PDE4APADI3
SCHEMBL7888149 0.82 NOS1 (0.40) ALDH1A1HTT
SCHEMBL1765973 0.82 PADI1 (0.43) PADI1PADI4PADI2PDE4APADI3
Hydrochloric Acid SCHEMBL7876078 0.81 NOS1 (0.39) ALDH1A1HTT
SCHEMBL10654174 0.81 PADI1 (0.46) PADI1PADI4PADI2PDE4APADI3
SCHEMBL28323687 0.81 C3AR1 (0.44) PADI1PADI4PADI2PDE4APADI3
SCHEMBL10946109 0.81 PADI1 (0.60) PADI1PADI4PADI2PDE4APADI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015077771-A1 ORDERED MACROPOROUS HYDROGELS FOR BIORESPONSIVE PROCESSES CARNEGIE MELLON UNIVERSITY (US) 2015-05-28 WO disclosed
US-8343351-B2 Membrane for removing proteases from liquids SARTORIUS AG (DE) 2013-01-01 US disclosed
US-8343350-B2 Membrane, device and method for removing proteases from liquids SARTORIUS AG (DE) 2013-01-01 US disclosed
US-20060216807-A1 Membrane for removing proteases from liquids SARTORIUS AG 2006-09-28 US disclosed
US-20050245431-A1 Membrane, device and method for removing proteases from liquids SARTORIUS AG 2005-11-03 US disclosed
US-5073487-A Rapid assay for functional human α1 -proteinase inhibitor ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1991-12-17 US disclosed
EP-0455733-A1 RAPID ASSAY FOR FUNCTIONAL HUMAN ALPHA 1?-PROTEINASE INHIBITOR ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1991-11-13 EP disclosed
WO-1990008837-A1 RAPID ASSAY FOR FUNCTIONAL HUMAN ALPHA1-PROTEINASE INHIBITOR ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1990-08-09 WO disclosed