SCHEMBL28828126

SCHEMBL28828126

CCc1csc(C(Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(NC(=O)O)C(c2ccccc2)C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 16/20 0.49
CCR3 P51677 4/20 0.47
PTPN1 P18031 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
SCHEMBL29794293 0.87 PTPRB (0.47) PTPRBCCR3PTPN1
SCHEMBL16467581 0.85 PTPRB (0.46) PTPRBCCR3
SCHEMBL468126 0.85 PTPRB (0.53) PTPRBCCR3PTPN1
SCHEMBL468128 0.85 PTPRB (0.53) PTPRBCCR3PTPN1
SCHEMBL468127 0.85 PTPRB (0.53) PTPRBCCR3PTPN1
SCHEMBL3569368 0.85 PTPRB (0.62) PTPRBCCR3
SCHEMBL12944445 0.83 PTPRB (0.55) PTPRBCCR3PTPN1
SCHEMBL679208 0.83 PTPRB (0.48) PTPRBCCR3
SCHEMBL683449 0.81 PTPRB (0.56) PTPRBCCR3PTPN1
SCHEMBL19493070 0.81 PTPRB (0.73) PTPRBCCR3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed