SCHEMBL6380735

SCHEMBL6380735

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.39
NPBWR1 P48145 1/20 0.38
PKM P14618 1/20 0.37
KCNJ1 P48048 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PMP22 Q01453 2/20 0.36
CYP1A2 P05177 2/20 0.36
NFKB1 P19838 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GMNN O75496 1/20 0.36
BLM P54132 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
THPO P40225 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
SCHEMBL6381734 0.83 KDM4E (0.39) MAPTMEN1KMT2AKDM4EPMP22
SCHEMBL6378951 0.76 MAPT (0.43) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL260129 0.71 ADORA2A (0.30)
SCHEMBL3576328 0.70 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1NPBWR1
SCHEMBL6838014 0.69 ADORA2A (0.47) MAPTALDH1A1PKMSMN1; SMN2
SCHEMBL260804 0.69 ADORA2A (0.30)
SCHEMBL7970193 0.69 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1NPBWR1
SCHEMBL6380330 0.69 HRH4 (0.39) MAPTMEN1KMT2AALDH1A1PMP22
SCHEMBL23010726 0.68 RAB9A (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6381869 0.68 ADORA2A (0.36) HIF1A

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-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP disclosed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO disclosed