SCHEMBL3717871

SCHEMBL3717871

O=c1[nH]cccc1Nc1c(Nc2ccccc2)c(=O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.58
CXCR1 P25024 2/20 0.44
PLK1 P53350 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
SCHEMBL3530063 0.88 ALDH1A1 (0.47) CXCR2
SCHEMBL22198065 0.78 CXCR2 (0.67) CXCR2PLK1
SCHEMBL24137170 0.73 CXCR2 (0.66) CXCR2PLK1
SCHEMBL3723764 0.73 PLK1 (0.57) CXCR2CXCR1PLK1
SCHEMBL3793190 0.71 GAA (0.62) CXCR2CXCR1
SCHEMBL19956913 0.69 CXCR2 (0.56) CXCR2PLK1
SCHEMBL19808351 0.68 PLK1 (0.60) CXCR2PLK1
SCHEMBL6550194 0.68 CXCR2 (0.67) CXCR2
SCHEMBL27249148 0.67 CXCR2 (0.63) CXCR2PLK1
SCHEMBL10094591 0.66

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
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed