SCHEMBL27693236

SCHEMBL27693236

O=COC1(NC(=O)c2ccc3ccccc3c2OCc2ccc(SC(F)(F)F)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 6/20 0.53
▸ PTPRZ1 P23471 2/20 0.38
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KCNK2 O95069 1/20 0.33
▸ KCNK10 P57789 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL27713046 0.88 CXCR2 (0.57) CXCR2MAPTALDH1A1GAASMN1; SMN2
SCHEMBL27693210 0.87 CXCR2 (0.57) CXCR2PTPRZ1PDE2AKCNK2KCNK10
SCHEMBL27712958 0.87 CXCR2 (0.57) CXCR2MAPTALDH1A1GAALMNA
SCHEMBL27693261 0.87 CXCR2 (0.51) CXCR2MAPTALDH1A1GAASMN1; SMN2
SCHEMBL485653 0.87 CXCR2 (0.67) CXCR2PTPRZ1MAPTALDH1A1GAA
SCHEMBL27693429 0.87 CXCR2 (0.49) CXCR2MAPTNPC1
SCHEMBL27693228 0.85 CXCR2 (0.46) CXCR2MAPTALDH1A1GAAPTPN1
SCHEMBL485250 0.85 CXCR2 (0.67) CXCR2PTPRZ1MAPTALDH1A1GAA
SCHEMBL15911879 0.83 CXCR2 (0.52) CXCR2PTPRZ1MAPTALDH1A1GAA
SCHEMBL27693224 0.83 CXCR2 (0.45) CXCR2MAPTALDH1A1GAALMNA

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
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 — — CN claimed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 — — CN disclosed
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