SCHEMBL9503017

SCHEMBL9503017

C=C(C)C(=O)OCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PPARD Q03181 2/20 0.52
MAPT P10636 3/20 0.49
PPARG P37231 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
KCNH2 Q12809 1/20 0.45
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP14 P50281 1/20 0.42

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
SCHEMBL9499693 0.96 TDP1 (0.57) POLBAPEX1HTTTDP1PPARD
SCHEMBL9499865 0.96 TDP1 (0.57) POLBAPEX1HTTTDP1PPARD
SCHEMBL713324 0.86 MAPT (0.60) POLBAPEX1HTTTDP1MAPT
SCHEMBL18927175 0.86 HTT (0.68) POLBAPEX1HTTTDP1PPARD
SCHEMBL9332678 0.85 POLB (0.61) POLBAPEX1HTTTDP1MAPT
SCHEMBL25894065 0.85 HTT (0.70) POLBAPEX1HTTTDP1PPARD
SCHEMBL18503403 0.85 HTT (0.70) POLBAPEX1HTTTDP1PPARD
SCHEMBL9133114 0.83 PTGS2 (0.56) POLBAPEX1HTTTDP1MAPT
SCHEMBL9119583 0.83 ALDH1A1 (0.53) HTTMAPTMEN1KMT2AGAA
SCHEMBL5068525 0.82 TDP1 (0.57) POLBAPEX1HTTTDP1MAPT

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