SCHEMBL1709764

SCHEMBL1709764

CCc1csc([C@H](Cc2ccc([N+](=O)[O-])cc2)NC)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.46
PTPRB P23467 15/20 0.46
PTPN1 P18031 1/20 0.41

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
SCHEMBL13184920 0.89 PTPRB (0.48) CCR3PTPRBPTPN1
SCHEMBL16573541 0.84 CCR3 (0.40) CCR3PTPRBPTPN1
SCHEMBL467873 0.83 PTPRB (0.41) CCR3PTPRB
SCHEMBL468061 0.83 PTPRB (0.41) CCR3PTPRB
SCHEMBL14931760 0.82 CCR3 (0.49) CCR3PTPRBPTPN1
Bromide SCHEMBL19502581 0.82 PTPRB (0.40) CCR3PTPRB
Bromide SCHEMBL467881 0.82 PTPRB (0.40) CCR3PTPRB
SCHEMBL684296 0.81 PTPRB (0.69) CCR3PTPRB
SCHEMBL468081 0.81 PTPRB (0.69) CCR3PTPRB
SCHEMBL12944445 0.81 PTPRB (0.55) CCR3PTPRBPTPN1

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
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed