SCHEMBL8127301

SCHEMBL8127301

NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])N(Cc1ccc(O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PYGL P06737 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ LIPC P11150 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL8123419 0.88 TRPV1 (0.37) CA1CA2
SCHEMBL8125989 0.85 NPY1R (0.37) MEN1KMT2A
SCHEMBL4651754 0.85 NPY4R (0.39) PYGL
SCHEMBL8121207 0.83 NPY1R (0.35) —
SCHEMBL8123647 0.82 PTPRB (0.38) MEN1KMT2A
SCHEMBL8114061 0.80 PLAAT3 (0.41) MEN1KMT2ASLC6A5
SCHEMBL8122024 0.80 HDAC3 (0.41) MEN1KMT2ASLC6A5
SCHEMBL8122655 0.80 TMEM97 (0.33) KMT2APYGL
SCHEMBL8120806 0.79 ADAM17 (0.36) CA1CA2
SCHEMBL8112667 0.79 HDAC3 (0.42) SLC6A5

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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