SCHEMBL28406275

SCHEMBL28406275

CCOc1cc(C)c([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
FGFR3 P22607 1/20 0.53
KDR P35968 1/20 0.53
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 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
SCHEMBL1647855 0.90 ALDH1A1 (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28406321 0.86 TSHR (0.49) ALDH1A1SMN1; SMN2NPSR1LMNAGALR2
SCHEMBL30837492 0.85 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12108924 0.85 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9721456 0.85 ALDH1A1 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6055047 0.84 SMN1; SMN2 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18655514 0.83 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28498143 0.83 GAA (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9793663 0.82 MAPT (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28422439 0.82 TDP1 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed