SCHEMBL20439550

SCHEMBL20439550

COC(=O)C(Cc1ccc(Oc2ccnc3c2c(C)cn3[S+]([O-])c2ccc(C)cc2)cc1)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.31
PDGFRA P16234 1/20 0.31
KDR P35968 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20439493 0.89 PTGS2 (0.37) P2RX3PDGFRAKDRHTTKMT2A
SCHEMBL23072688 0.86 KDR (0.35) P2RX3PDGFRAKDR
SCHEMBL20437178 0.83 PKM (0.34) P2RX3PDGFRAKDRKMT2AL3MBTL1
SCHEMBL23072613 0.82 LMNA (0.35) P2RX3PDGFRAKDRKMT2AL3MBTL1
SCHEMBL23072622 0.82
SCHEMBL20422592 0.74 PPARG (0.36) P2RX3KMT2AL3MBTL1
SCHEMBL20422591 0.74 PPARG (0.36) P2RX3KMT2AL3MBTL1
SCHEMBL20422482 0.74 L3MBTL1 (0.38) P2RX3PDGFRAKDRKMT2AL3MBTL1
SCHEMBL20437176 0.71 PTGS2 (0.39) P2RX3PDGFRAKDRL3MBTL1
SCHEMBL23072670 0.68 PDGFRA (0.35) PDGFRAKDRHTTKMT2AL3MBTL1

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
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO disclosed