SCHEMBL6047883

SCHEMBL6047883

COc1ccc(-c2ccc([N+](=O)[O-])[c]c2[N+](=O)[O-])cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
PTGS2 P35354 4/20 0.40
MAPT P10636 4/20 0.40
CHEK1 O14757 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.40
CTSB P07858 1/20 0.39
MAPK1 P28482 1/20 0.39
VCP P55072 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6047855 0.81 HTR7 (0.44) RAB9ANPC1SMN1; SMN2PTGS2MAPT
SCHEMBL12682421 0.75 MAPT (0.55) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7970512 0.73 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDPTGS2
SCHEMBL6047843 0.72 ALDH1A1 (0.47) RAB9ANPC1HPGDPTGS2MAPT
SCHEMBL6309234 0.71 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL27777515 0.71 TDP1 (0.43) SMN1; SMN2PTGS2MAPTMEN1KMT2A
SCHEMBL27969541 0.69 PTGS2 (0.64) RAB9ANPC1SMN1; SMN2PTGS2MAPT
SCHEMBL21808049 0.69 TDP1 (0.42) SMN1; SMN2PTGS2MAPTMEN1KMT2A
SCHEMBL12937568 0.69 HPGD (0.49) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6889537 0.68 PKM (0.43) RAB9ASMN1; SMN2PTGS2MAPTMAPK1

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