SCHEMBL9199475

SCHEMBL9199475

NC(=O)[C@H](CCC(N)C(N)=N[N+](=O)[O-])N(Cc1cccc(O)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.34
▸ KYNU Q16719 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRM8 O00222 2/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTBP2 P56545 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ HPGDS O60760 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
SCHEMBL9203185 0.91 TDP1 (0.34) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL9201579 0.89 TRPM8 (0.38) KMT2AMEN1TRPM8CTBP2
SCHEMBL9196808 0.88 MAPT (0.33) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL9198354 0.88 KMT2A (0.32) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL9201326 0.86 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL9195755 0.86 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2GRM8GRM4
SCHEMBL9196838 0.85 TDP1 (0.37) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL9194668 0.84 TDP1 (0.39) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL9198184 0.84 MAPT (0.33) MAPTHTTNPSR1
SCHEMBL9201153 0.83 CNR1 (0.34) MAPTHTTNPSR1

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
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