Sugi Predict

Sugi Predict / Compounds / SCHEMBL9195704

SCHEMBL9195704

SCHEMBL9195704

NC(Cc1ccccc1[N+](=O)[O-])C(=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ MC4R P32245 1/20 0.39
▸ KDM4A O75164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SNCA P37840 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL9203280 0.82 SLC7A5 (0.50) MC4RTDP1MEN1KMT2A
SCHEMBL8119902 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ATDP1SNCAMEN1
SCHEMBL1388851 0.76 SLC7A5 (0.43) MC4RTDP1MEN1KMT2A
SCHEMBL9198245 0.75 TDP1 (0.49) TDP1MEN1KMT2A
SCHEMBL9198257 0.75 TDP1 (0.49) TDP1MEN1KMT2A
SCHEMBL9200732 0.73 DPP7 (0.41) MC4RTDP1MEN1KMT2A
SCHEMBL9195932 0.72 MC4R (0.44) ALDH1A1MC4RTDP1MEN1KMT2A
SCHEMBL8977587 0.72 ALPI (0.51) ALDH1A1
SCHEMBL43104 0.72 ALPI (0.51) ALDH1A1
SCHEMBL43105 0.72 ALPI (0.51) ALDH1A1

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed