SCHEMBL9499693

SCHEMBL9499693

C=C(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARD Q03181 2/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LSS P48449 2/20 0.46
PPARG P37231 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KCNH2 Q12809 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAOB P27338 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
SCHEMBL9499865 1.00 TDP1 (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL9503017 0.96 POLB (0.52) TDP1POLBAPEX1HTTMAPT
SCHEMBL9332678 0.89 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL18503403 0.89 HTT (0.70) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL25894065 0.89 HTT (0.70) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL18927175 0.88 HTT (0.68) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL5068525 0.86 TDP1 (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL10333121 0.86 HTT (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL8897407 0.86 HTT (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL8897411 0.86 HTT (0.57) TDP1POLBAPEX1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322708-B1 POLYMERS WITH AMIDE GROUPS IN THE SIDE CHAINS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
US-4925589-A ADDITION ACRYLIC TYPE POLYMER HOFFMANN-LA ROCHE INC. (US) 1990-05-15 US disclosed
EP-0322708-A2 Polymers with amide groups in the side chains F. HOFFMANN-LA ROCHE AG (CH) 1989-07-05 EP disclosed