SCHEMBL2033657

SCHEMBL2033657

CC(=O)Nc1ccc([N+](=O)[O-])c(CCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
FBP1 P09467 1/20 0.44
ALDH3A1 P30838 1/20 0.43

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
SCHEMBL12983948 0.84 HTT (0.60) HTTSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL27524897 0.82 HTT (0.57) HTTSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL9815415 0.82 HTT (0.51) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL9815425 0.78 HTT (0.53) HTTSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL31171014 0.78 MAPT (0.54) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL11526803 0.78 HTT (0.71) HTTSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL9479729 0.77 BACE1 (0.48) MAPTALDH1A1LMNAPOLBFBP1
SCHEMBL30434455 0.76 KMT2A (0.50) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL29833583 0.76 HTT (0.60) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL359006 0.76 HTT (0.64) HTTSMN1; SMN2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956011-B2 Materials and methods for the photodirected synthesis of oligonucleotide arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2011-06-07 US claimed
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO claimed
US-7956011-B2 Materials and methods for the photodirected synthesis of oligonucleotide arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2011-06-07 US disclosed
US-20090270279-A1 Materials and Methods for the Photodirected Synthesis of Oligonucleotide Arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2009-10-29 US disclosed
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO disclosed