SCHEMBL4654523

SCHEMBL4654523

Cc1n[nH]cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.56
RELA Q04206 5/20 0.45
NFKBIA P25963 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AGTR1 P30556 1/20 0.45
OPRK1 P41145 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NHERF1 O14745 1/20 0.44
MCL1 Q07820 1/20 0.44
SLC40A1 Q9NP59 2/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CASP6 P55212 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
ALPL P05186 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL15658709 0.75 GUSB (0.67) GUSBMEN1KMT2ATDP1SLC40A1
SCHEMBL46669 0.73 CA1 (0.59) GUSBMEN1KMT2ATDP1NPC1
SCHEMBL8422362 0.73 SMN1; SMN2 (0.72) GUSBMEN1KMT2ATDP1MCL1
SCHEMBL26931604 0.72 GUSB (0.63) GUSBMEN1KMT2ATDP1L3MBTL1
SCHEMBL8425835 0.72 MEN1 (0.56) GUSBRELANFKBIAMEN1KMT2A
SCHEMBL15661006 0.72 ALDH1A1 (0.61) GUSBRELAMEN1KMT2ATDP1
SCHEMBL7015594 0.71 GUSB (0.66) GUSBMEN1KMT2AMCL1NPC1
SCHEMBL10736544 0.71 MAPT (0.50) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL8426004 0.70 GAA (0.57) GUSBMEN1KMT2ANHERF1MCL1
SCHEMBL7014839 0.70 GUSB (0.56) GUSBMEN1KMT2ATDP1L3MBTL1

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-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed