SCHEMBL6562852

SCHEMBL6562852

O=C(Nc1ccccc1Br)Nc1ccc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)c1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.56
CXCR1 P25024 6/20 0.56
KMT2A Q03164 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
Hydrochloric Acid SCHEMBL6563971 0.99 CXCR2 (0.55) CXCR2CXCR1KMT2ACA12CA1
SCHEMBL5445412 0.95 CXCR2 (0.58) CXCR2CXCR1KMT2A
SCHEMBL6564696 0.92 CXCR2 (0.49) CXCR2KMT2ACA12CA1CA2
Hydrochloric Acid SCHEMBL6563370 0.91 CXCR2 (0.48) CXCR2KMT2ACA12CA1CA2
SCHEMBL6564950 0.89 CXCR2 (0.59) CXCR2KMT2A
Hydrochloric Acid SCHEMBL6564140 0.88 CXCR2 (0.58) CXCR2KMT2AKDM4ETDP1
Hydrochloric Acid SCHEMBL4586843 0.85 LMNA (0.51) CXCR2CXCR1KMT2APOLB
SCHEMBL6564640 0.83 CXCR2 (0.61) CXCR2
Hydrochloric Acid SCHEMBL7554449 0.82 KDM4E (0.54) CXCR2KMT2AKDM4EPOLB
SCHEMBL6564942 0.82 CXCR2 (0.69) CXCR2CXCR1

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
EP-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 EP claimed