SCHEMBL5133283

SCHEMBL5133283

O=[N+]([O-])c1cc(-c2ccc3c(c2)OCO3)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 1/20 0.47
HTT P42858 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
VCAM1 P19320 3/20 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
SCHEMBL13374002 0.82 MAPT (0.67) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5992360 0.82 VCAM1 (0.60) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2461199 0.80 VCAM1 (0.58) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL20505550 0.79 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2269212 0.78 RAB9A (0.53) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2245534 0.76 HDAC6 (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14539000 0.74 RAB9A (0.78) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL1897629 0.74 CRHBP (0.58) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1065964 0.74 VCAM1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL5461467 0.74 VCAM1 (0.57) ALDH1A1MAPTMEN1KMT2AVCAM1

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-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed