SCHEMBL4686117

SCHEMBL4686117

COc1cc(Cl)cc2c1NC(=O)NS2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.35
ERN1 O75460 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE7A Q13946 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL18953486 0.81 CREBBP (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18953378 0.81 IGF1R (0.37) ERN1GSK3BPDE3BPDE3AGRIN2D
SCHEMBL18953367 0.75 SERPINH1 (0.34) SERPINH1ERN1KDM4EMAPTNPSR1
SCHEMBL18953666 0.75 PDE7A (0.30) PDE7A
SCHEMBL18953724 0.73 CREBBP (0.39) KDM4EALDH1A1PDE7AMEN1KMT2A
SCHEMBL18953580 0.73 PDE7A (0.35) MAPTNPSR1ALDH1A1PDE7AHSP90AA1
SCHEMBL18953578 0.72 SERPINH1 (0.31) SERPINH1ERN1ALDH1A1POLB
SCHEMBL4648066 0.69 CA12 (0.49) CLK4MAP4K4PIM1CDK5DYRK1A
SCHEMBL18953804 0.69 GSK3B (0.33) ERN1GSK3B
SCHEMBL18953531 0.68 ALDH1A1 (0.38) KDM4EALDH1A1PDE7A

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-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed
EP-1631559-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
EP-1631559-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-08 EP disclosed
WO-2005000231-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO disclosed