SCHEMBL20439493

SCHEMBL20439493

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 3/20 0.32
KDR P35968 2/20 0.32
PDGFRA P16234 1/20 0.32
TPH1 P17752 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CSF1R P07333 1/20 0.30
PDGFRB P09619 1/20 0.30
FLT3 P36888 1/20 0.30
LTA4H P09960 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
SCHEMBL23072622 0.90
SCHEMBL20439550 0.89 P2RX3 (0.31) P2RX3KDRPDGFRAHTTKMT2A
SCHEMBL23072613 0.84 LMNA (0.35) ALDH1A1P2RX3KDRPDGFRAKMT2A
SCHEMBL20437176 0.82 PTGS2 (0.39) PTGS2ALDH1A1P2RX3KDRPDGFRA
SCHEMBL23072688 0.74 KDR (0.35) P2RX3KDRPDGFRACSF1RPDGFRB
SCHEMBL20422385 0.73 TPH1 (0.37) TPH1KMT2AL3MBTL1
SCHEMBL20422383 0.73 TPH1 (0.37) TPH1KMT2AL3MBTL1
SCHEMBL20422623 0.73 L3MBTL1 (0.39) PTGS2ALDH1A1P2RX3KDRPDGFRA
SCHEMBL539169 0.72 PTGS2 (0.45) PTGS2ALDH1A1P2RX3KDRCSF1R
SCHEMBL539536 0.72 PTGS2 (0.45) PTGS2ALDH1A1P2RX3KDRCSF1R

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
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO disclosed