SCHEMBL6300775

SCHEMBL6300775

COc1ccc([N+](=O)[O-])c(NC=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C1 Q04828 1/20 0.53
ALDH1A1 P00352 5/20 0.48
MAPT P10636 8/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL17963733 0.88 MAPT (0.60) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL487216 0.82 AKR1C3 (0.57) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL16840490 0.81 SMN1; SMN2 (0.56) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL6537797 0.80 MAPT (0.59) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL8474164 0.80 MAPT (0.59) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
Bromide SCHEMBL20984702 0.79 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL20984395 0.79 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL2013684 0.78 SMN1; SMN2 (0.60) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL14387817 0.78 SMN1; SMN2 (0.60) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL9742270 0.78 MAPT (0.56) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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