SCHEMBL7524845

SCHEMBL7524845

CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.40
MMP1 P03956 1/20 0.40
FCER2 P06734 1/20 0.40
MMP3 P08254 1/20 0.39
SSTR3 P32745 1/20 0.39

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
SCHEMBL5393476 0.87 KMT2A (0.53) PDFMEN1KMT2AMAPTLMNA
SCHEMBL3239797 0.85 FPR1 (0.51) PDFMEN1KMT2AMAPTLMNA
SCHEMBL27695847 0.82 PDF (0.48) PDFMEN1KMT2AMAPTLMNA
SCHEMBL27695845 0.82 PDF (0.48) PDFMEN1KMT2AMAPTLMNA
SCHEMBL8582688 0.82 MMP3 (0.49) PDFMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL27484221 0.81 PDF (0.47) PDFMEN1KMT2AMAPTLMNA
SCHEMBL7078573 0.81 FNTA (0.38) MMP1FCER2
SCHEMBL30479183 0.80 PDF (0.48) PDFMEN1KMT2AMAPTLMNA
SCHEMBL31675108 0.80 KMT2A (0.50) PDFMEN1KMT2AMAPTLMNA
SCHEMBL5318843 0.79 PDF (0.65) PDFMEN1KMT2AMAPTLMNA

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-20020102250-A1 Recombinant S. aureus peptide deformylase PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2002002763-A2 RECOMBINANT STAPHYLOCOCCUS AUREUS PEPTIDE DEFORMYLASE PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 WO disclosed