SCHEMBL6205778

SCHEMBL6205778

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ELANE P08246 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PRMT1 Q99873 1/20 0.38
KDM4E B2RXH2 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
PARP10 Q53GL7 1/20 0.37
NSD2 O96028 1/20 0.37
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6206291 0.73 ALOX5 (0.46) ALOX5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6205771 0.73 ALOX5 (0.46) ALOX5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6205774 0.73 ALOX5 (0.46) ALOX5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6832635 0.73 CES2 (0.44) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL6204762 0.73 ELANE (0.53) ALDH1A1KMT2AELANECES2CES1
SCHEMBL6832632 0.73 CES2 (0.44) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL11147391 0.73 ALOX5 (0.49) ALOX5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2184443 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL3054716 0.72 ALOX5 (0.51) ALOX5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6205997 0.72 ELANE (0.43) ALDH1A1KMT2AELANECES2CES1

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