SCHEMBL7488374

SCHEMBL7488374

N#Cc1ccc(NC(=O)Nc2ccccc2OCc2ccccn2)c(O)c1.N#Cc1ccc(NC(=O)Nc2ccccc2OCc2cccnc2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.49
PPIA P62937 4/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
CHEK1 O14757 2/20 0.42
LRRK2 Q5S007 1/20 0.42
AHR P35869 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
AKT1 P31749 1/20 0.40
PPIF P30405 1/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7551257 0.95 SGMS2 (0.53) SGMS2PPIACXCR1CXCR2CHEK1
SCHEMBL7552006 0.91 CXCR2 (0.57) PPIACXCR1CXCR2BRD4KMT2A
SCHEMBL7488381 0.86 SGMS2 (0.46) SGMS2PPIACHEK1LRRK2CYP11B1
SCHEMBL7514780 0.84 CXCR1 (0.56) SGMS2PPIACXCR1CXCR2LRRK2
SCHEMBL7492629 0.84 CXCR2 (0.62) SGMS2PPIACXCR1CXCR2BRD4
SCHEMBL7484203 0.77 PPIA (0.59) PPIACXCR1CXCR2CYP11B1CYP11B2
SCHEMBL3707120 0.74 CXCR1 (0.67) CXCR1CXCR2MEN1KMT2AKDM4E
SCHEMBL7515957 0.74 CXCR2 (0.58) SGMS2PPIACXCR1CXCR2MEN1
SCHEMBL7549892 0.73 KMT2A (0.57) PPIACXCR1CXCR2PPIFMEN1
SCHEMBL38660891 0.69 MAPT (0.60) SGMS2CYP11B1CYP11B2BRD4KMT2A

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