SCHEMBL2033475

SCHEMBL2033475

COc1ccc(Nc2ccc([N+](=O)[O-])c(C(OC(=O)C(Cl)(Cl)Cl)c3ccccc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
FBP1 P09467 2/20 0.42
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
AKR1C4 P17516 2/20 0.41
AKR1C1 Q04828 2/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
ALDH3A1 P30838 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2028578 0.92 HCAR3 (0.42) MAPTAKR1C3AKR1C2MAPK1ALDH1A1
SCHEMBL2034196 0.84 FBP1 (0.40) MAPTAKR1C3AKR1C2MAPK1ALDH1A1
SCHEMBL2029622 0.79 MAPT (0.43) MAPTAKR1C3AKR1C2MAPK1ALDH1A1
SCHEMBL2034070 0.78 VCAM1 (0.37) MAPTALDH1A1TDP1GAAHTT
SCHEMBL2029853 0.77 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL2034068 0.77 MEN1 (0.37) MAPTMAPK1ALDH1A1TDP1HTT
SCHEMBL2052797 0.77 HCAR3 (0.38) MAPTMAPK1ALDH1A1L3MBTL1HTT
SCHEMBL5583481 0.76 TSHR (0.40) MAPTALDH1A1TDP1L3MBTL1HTT
SCHEMBL5583445 0.75 PKM (0.40) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2034235 0.74 ABCB1 (0.39) AKR1C3AKR1C2ALDH1A1TDP1HTT

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 4 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
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