SCHEMBL27486167

SCHEMBL27486167

CC(=O)NC(CCCc1cnccn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.40
ALB P02768 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LONP1 P36776 3/20 0.36
GPR132 Q9UNW8 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB5 P28074 2/20 0.35
LMNA P02545 1/20 0.35
PSMB11 A5LHX3 1/20 0.35

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
SCHEMBL6190867 0.83 NLRP3 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6190862 0.83 NLRP3 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6801056 0.76 ALB (0.53) GNPATALBKDM4EMAPTTHRB
SCHEMBL24016465 0.74 KDM4E (0.46) KDM4EKMT2A
SCHEMBL27485143 0.73 ALB (0.42) GNPATALBKDM4EMAPTTHRB
SCHEMBL8766796 0.72 KDM4E (0.34) KDM4EMAPTLONP1PSMB5LMNA
SCHEMBL18110415 0.72 LMNA (0.35) KDM4ESMN1; SMN2ALDH1A1LONP1GPR132
SCHEMBL16745724 0.72 GNPAT (0.62) GNPATALBKDM4EMAPTTHRB
SCHEMBL15798754 0.71 ALDH1A1 (0.36) KDM4ESMN1; SMN2ALDH1A1LONP1PSMB5
SCHEMBL14400980 0.71 GNPAT (0.61) GNPATALB

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
CN-1202096-C 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2005-05-18 CN disclosed
CN-1444572-A 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-24 CN disclosed