SCHEMBL28032098

SCHEMBL28032098

C=Cc1cc(OCCCC)cc2nc(OC(C)C)sc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL614538 0.80
SCHEMBL1908578 0.70 ALDH1A1 (0.34)
SCHEMBL616550 0.68
SCHEMBL16953813 0.67 AHR (0.44)
SCHEMBL16960078 0.65 CNR1 (0.38)
SCHEMBL27697097 0.64 ELANE (0.32) ELANE
SCHEMBL9539369 0.63 PTGES (0.46)
SCHEMBL27934140 0.62 PLA2G2A (0.46)
SCHEMBL3625776 0.62 MDM2 (0.46)
SCHEMBL16951112 0.62 CNR1 (0.42)

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-104968337-A Formulation comprising benzothiazolone compound NOVARTIS AG 2015-10-07 CN disclosed