SCHEMBL8120799

SCHEMBL8120799

COc1cccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.42
▸ CTSD P07339 5/20 0.37
▸ NR1H3 Q13133 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC2 Q92769 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
SCHEMBL8119518 0.92 EPOR (0.37) EPORCTSDNR1H3TDP1
SCHEMBL8114831 0.91 EPOR (0.39) EPORCTSDNR1H3TDP1ALDH1A1
SCHEMBL8127365 0.90 LMNA (0.41) CTSDNR1H3ALDH1A1MEN1LMNA
SCHEMBL8120144 0.89 EPOR (0.35) EPORMEN1KMT2A
SCHEMBL8121415 0.88 CTSD (0.36) CTSDNR1H3ALDH1A1MEN1LMNA
SCHEMBL8112912 0.88 CTSD (0.36) CTSDNR1H3ALDH1A1KDM4EMEN1
SCHEMBL8526325 0.86 MAPT (0.35) EPORCTSDTDP1ALDH1A1MEN1
SCHEMBL8127523 0.85 NPY1R (0.33) EPORALDH1A1MEN1LMNAKMT2A
SCHEMBL8112501 0.85 KMT2A (0.38) EPORCTSDTDP1ALDH1A1KDM4E
SCHEMBL8111322 0.85 NPY1R (0.32) ALDH1A1MEN1LMNAKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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