SCHEMBL6047841

SCHEMBL6047841

CN(C)c1ccc([N+](=O)[O-])[c]c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
HCAR3 P49019 1/20 0.40
MAPK1 P28482 3/20 0.33
GLA P06280 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL6047870 0.80 ALDH3A1 (0.45) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL6047873 0.74 PDE7A (0.33) ALDH1A1CYP3A4LMNA
SCHEMBL745365 0.74 TSHR (0.38) MAPTKDM4EMAPK1L3MBTL1TDP1
SCHEMBL6047877 0.72 ALDH1A1 (0.38) MAPTALDH1A1HTTCA1TDP1
SCHEMBL6047875 0.72 TDP1 (0.41) ALDH1A1MAPK1TDP1TSHR
SCHEMBL6047866 0.72 ALDH1A1 (0.40) MAPTALDH1A1HTTTDP1CYP3A4
SCHEMBL667880 0.72 CA12 (0.38) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL6047843 0.67 ALDH1A1 (0.47) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL9300062 0.65 TSHR (0.42) MAPTALDH1A1TDP1CYP3A4TSHR
SCHEMBL15474947 0.65 MAPT (0.44) MAPTALDH1A1KDM4EHTTMAPK1

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
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
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