SCHEMBL2230529

SCHEMBL2230529

O=C(O)N(Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
TSHR P16473 5/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 8/20 0.50
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
DDX3X O00571 1/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.44

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
SCHEMBL2311749 0.81 SMN1; SMN2 (0.47) TP53TSHRLMNAALDH1A1HTT
SCHEMBL15155882 0.80 ATM (0.55) TP53TSHRLMNAALDH1A1PKM
SCHEMBL28136856 0.80 TP53 (0.53) TP53TSHRLMNAALDH1A1PKM
SCHEMBL23923878 0.80 ALDH1A1 (0.53) TP53TSHRLMNAALDH1A1PKM
SCHEMBL4959484 0.80 ATM (0.55) TP53TSHRLMNAALDH1A1PKM
SCHEMBL27331113 0.80 TP53 (0.49) TP53TSHRLMNAALDH1A1PKM
SCHEMBL1008276 0.78 MAPT (0.50) TP53TSHRLMNAALDH1A1CES2
SCHEMBL2453170 0.76 TP53 (0.49) TP53TSHRLMNAALDH1A1PKM
SCHEMBL4707186 0.76 TRPM8 (0.60) TP53TSHRLMNAALDH1A1PKM
SCHEMBL2453168 0.76 TP53 (0.49) TP53TSHRLMNAALDH1A1PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 CN disclosed