SCHEMBL6300833

SCHEMBL6300833

COc1ccc([N+](=O)[O-])cc1N[C]=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 3/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
HTT P42858 4/20 0.54
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
BLM P54132 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL6074073 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL27976139 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL20302624 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL30311318 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL18549285 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMEN1KMT2AMAPT
Bromide SCHEMBL20984828 0.79 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL20984568 0.79 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL1758820 0.79 ALDH1A1 (0.56) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL5226315 0.78 SMN1; SMN2 (0.64) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL30384717 0.78 SMN1; SMN2 (0.64) SMN1; SMN2LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-6903197-B2 Azoxy dyes and copper complexes thereof BASF AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
US-20040204570-A1 Azoxy dyes and copper complexes thereof BASF AKIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
US-6727351-B1 COMPLEXING, COUPLING, AND DEACYLATION BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1161499-B1 AZOXY DYES AND THEIR CU COMPLEXES BASF AG (DE) 2003-12-03 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed