SCHEMBL310869

SCHEMBL310869

COc1cc([N+](=O)[O-])ccc1Oc1cc(N)cc(Oc2ccc([N+](=O)[O-])cc2OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 6/20 0.54
MAPT P10636 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 2/20 0.54
PDE7A Q13946 1/20 0.52
TTR P02766 2/20 0.49
CYP19A1 P11511 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 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
SCHEMBL2028009 0.89 HTT (0.58) HTTTDP1MEN1MAPTKMT2A
SCHEMBL4229181 0.88 ALDH1A1 (0.69) HTTTDP1MEN1MAPTKMT2A
SCHEMBL311173 0.84 ALDH1A1 (0.56) HTTTDP1MEN1MAPTKMT2A
SCHEMBL2036951 0.82 HTT (0.54) HTTTDP1MEN1MAPTKMT2A
SCHEMBL2034628 0.82 HTT (0.54) HTTTDP1MEN1MAPTKMT2A
SCHEMBL4687037 0.82 ALDH1A1 (0.61) HTTTDP1MEN1MAPTKMT2A
SCHEMBL3811331 0.82 MEN1 (0.59) HTTTDP1MEN1MAPTKMT2A
SCHEMBL30222321 0.82 MEN1 (0.59) HTTTDP1MEN1MAPTKMT2A
SCHEMBL4232662 0.81 HTT (0.60) HTTTDP1MEN1MAPTKMT2A
SCHEMBL12584751 0.81 PTGS2 (0.55) HTTTDP1MEN1MAPTKMT2A

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
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed