SCHEMBL6205776

SCHEMBL6205776

O=C(O)C(=COc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ESR2 Q92731 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 3/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL6207378 0.76 POLB (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL6206216 0.76 AKR1C1 (0.44) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL6206649 0.76 AKR1C1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6208071 0.76 AKR1C1 (0.44) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL11473275 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL11224609 0.75 MAOB (0.59) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL11224607 0.75 MAOB (0.59) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL11224613 0.75 MAOB (0.59) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL527543 0.74 MAPT (0.71) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL30727558 0.74 MAPT (0.71) ALDH1A1MEN1KMT2ATDP1MAPT

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