SCHEMBL6549682

SCHEMBL6549682

O=C(Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1O)Nc1cccc(Cl)c1Cl.O=C(Nc1ccccc1)c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.55
CXCR1 P25024 4/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CX3CR1 P49238 1/20 0.46
CYP1A2 P05177 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6549708 0.89 MEN1 (0.68) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL6550093 0.83 MEN1 (0.57) CXCR2MEN1KMT2ALMNAMAPT
SCHEMBL6550860 0.79 MEN1 (0.56) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL7490549 0.77 CXCR2 (0.67) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL7211784 0.75 CXCR2 (0.51) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL7487864 0.73 CXCR2 (0.61) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL10530781 0.73 MEN1 (1.00) MEN1KMT2ALMNAMAPTGAA
SCHEMBL31061375 0.72 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL7491596 0.72 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL1880282 0.72 CXCR2 (0.70) CXCR2CXCR1MEN1KMT2ALMNA

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-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed