SCHEMBL6205774

SCHEMBL6205774

O=C(O)C(Oc1ccccc1)=C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
ELANE P08246 6/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PRMT1 Q99873 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14935500 0.78 PRMT1 (0.54) MEN1KMT2AALDH1A1NPC1CES2
SCHEMBL7260785 0.78 PRMT1 (0.54) MEN1KMT2AALDH1A1NPC1CES2
SCHEMBL10995027 0.78 PRMT1 (0.54) MEN1KMT2AALDH1A1NPC1CES2
SCHEMBL6206291 0.73 ALOX5 (0.46) ALOX5ELANEMEN1KMT2AALDH1A1
SCHEMBL6205771 0.73 ALOX5 (0.46) ALOX5ELANEMEN1KMT2AALDH1A1
SCHEMBL6205778 0.73 ALOX5 (0.46) ALOX5ELANEMEN1KMT2AALDH1A1
SCHEMBL11147391 0.73 ALOX5 (0.49) ALOX5ELANEMEN1KMT2AALDH1A1
SCHEMBL2184443 0.73 ALDH1A1 (0.44) MEN1KMT2AALDH1A1NPC1CES2
SCHEMBL1174501 0.73 ALDH1A1 (0.44) MEN1KMT2AALDH1A1NPC1CES2
SCHEMBL3054716 0.72 ALOX5 (0.51) ALOX5ELANEMEN1KMT2AALDH1A1

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-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed