SCHEMBL5210290

SCHEMBL5210290

CC(Oc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.52
KDM4E B2RXH2 2/20 0.45
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ERAP1 Q9NZ08 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL484993 0.83 CXCR2 (0.49) CXCR2KDM4EMEN1KMT2ALMNA
SCHEMBL485642 0.83 CXCR2 (0.55) CXCR2KDM4EERAP1MEN1KMT2A
SCHEMBL485210 0.82 CXCR2 (0.54) CXCR2KDM4EERAP1MEN1KMT2A
SCHEMBL485319 0.79 CXCR2 (0.48) CXCR2KDM4EERAP1LMNAHTT
SCHEMBL3936523 0.79 CXCR2 (0.72) CXCR2KDM4EERAP1MEN1KMT2A
SCHEMBL485948 0.78 CXCR2 (0.48) CXCR2KDM4EERAP1LMNA
SCHEMBL3934004 0.78 CXCR2 (0.67) CXCR2KDM4EDRD2DRD4DRD3
SCHEMBL485525 0.77 CXCR2 (0.52) CXCR2KDM4ELMNAHTT
SCHEMBL485465 0.77 CXCR2 (0.52) CXCR2KDM4ELMNAHTT
SCHEMBL485188 0.77 CXCR2 (0.52) CXCR2KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO disclosed