SCHEMBL19328752

SCHEMBL19328752

CC(=N)NC(C)CN[C@@H](CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 5/20 0.46
ALDH1A1 P00352 2/20 0.37
FOLH1 Q04609 3/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.33
MME P08473 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL19328754 1.00 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL19328709 1.00 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL19328707 1.00 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL19328770 1.00 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL19328757 1.00 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2931883 0.85 ACE (0.45) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2230393 0.76 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL29649175 0.76 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2230396 0.76 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL1926275 0.74 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1

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
EP-3427061-A1 IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT Centro Nacional de Investigaciones Cardiovasculares Carlos III (F.S.P.) (ES) 2019-01-16 EP disclosed
WO-2017153023-A1 IN VITRO METHOD FOR IDENTIFYING THORACIC AORTIC ANEURYSMS (TAA) IN A SUBJECT CNIC FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (ES) 2017-09-14 WO disclosed