SCHEMBL7488381

SCHEMBL7488381

N#Cc1ccc(N(C(=O)Nc2ccccc2OCc2cccnc2)N(C(=O)Nc2ccccc2OCc2ccccn2)c2ccc(C#N)cc2O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.46
PPIA P62937 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 2/20 0.41
LRRK2 Q5S007 1/20 0.40
AKT1 P31749 1/20 0.38
CYP19A1 P11511 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 2/20 0.36
VNN1 O95497 1/20 0.36
KDM1A O60341 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL7488374 0.86 SGMS2 (0.49) SGMS2PPIACYP11B1CYP11B2LRRK2
SCHEMBL7551257 0.81 SGMS2 (0.53) SGMS2PPIACYP11B1CYP11B2LRRK2
SCHEMBL7552006 0.77 CXCR2 (0.57) PPIAALOX15BRD4
SCHEMBL7514780 0.70 CXCR1 (0.56) SGMS2PPIALRRK2SMN1; SMN2BRD4
SCHEMBL7492629 0.69 CXCR2 (0.62) SGMS2PPIACYP19A1BRD4
SCHEMBL38660891 0.67 MAPT (0.60) SGMS2CYP11B1CYP11B2HTTKDM1A
Urea SCHEMBL7511030 0.66 PPIA (0.39) SGMS2PPIACYP11B1CYP11B2LRRK2
SCHEMBL31014109 0.65 PARP10 (0.45) PPIACYP11B1CYP11B2SMN1; SMN2
SCHEMBL17629916 0.64 CYP11B1 (0.50) SGMS2CYP11B1CYP11B2LRRK2CYP19A1
SCHEMBL17630139 0.64 CYP11B1 (0.50) SGMS2CYP11B1CYP11B2LRRK2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed