SCHEMBL9199338

SCHEMBL9199338

CCOc1ccc(CN(C(N)=N[N+](=O)[O-])[C@H](CCCN)C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTBP1 P26599 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL9200975 0.94 EPOR (0.37) EPORALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9203109 0.85 MC4R (0.32) EPOR
SCHEMBL9195602 0.85 EPOR (0.32) EPOR
SCHEMBL9200360 0.85 PYCR1 (0.33) EPORMAPK1KMT2ACRHBPCRHR2
Hydrochloric Acid SCHEMBL9200344 0.84 EPOR (0.32) EPORTDP1KMT2A
SCHEMBL9199892 0.84 NR1D1 (0.36) ALDH1A1SMN1; SMN2TDP1RAB9AKMT2A
SCHEMBL9196848 0.83 EPOR (0.32) EPOR
SCHEMBL9197230 0.83 MC4R (0.31) —
SCHEMBL9199328 0.81 ALDH1A1 (0.37) EPORALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9199354 0.81 ALDH1A1 (0.37) EPORALDH1A1KDM4ESMN1; SMN2LMNA

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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