SCHEMBL2230525

SCHEMBL2230525

O=C(O)Nc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
CXCR1 P25024 2/20 0.52
CXCR2 P25025 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
PABPC1 P11940 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
EIF4H Q15056 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2230530 1.00 KMT2A (0.52) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL396053 0.85 SMN1; SMN2 (0.57) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL1842636 0.83 KMT2A (0.62) KMT2AMEN1HDAC6ALDH1A1GAA
SCHEMBL31399753 0.83 KMT2A (0.62) KMT2AMEN1HDAC6ALDH1A1GAA
SCHEMBL2311747 0.83 HTT (0.65) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6318886 0.81 LMNA (0.48) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL28209898 0.81 TGM2 (0.59) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL16099064 0.81 KMT2A (0.51) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL4320215 0.81 HTT (0.68) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL4320209 0.81 HTT (0.68) KMT2AMEN1ALDH1A1HTTSMN1; SMN2

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
CN-102015651-B Compounds and compositions as TLR activity modulators IRM LLC 2014-12-31 CN disclosed
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