SCHEMBL7490940

SCHEMBL7490940

CSc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
CXCR1 P25024 3/20 0.58
CXCR2 P25025 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPK14 Q16539 2/20 0.49
RORC P51449 1/20 0.49
KCNMA1 Q12791 1/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3706036 0.91 MEN1 (0.69) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL3711422 0.90 CXCR2 (0.67) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL6921794 0.85 KMT2A (0.51) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL6820181 0.84 KMT2A (0.59) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL3706835 0.83 KMT2A (0.74) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL3716989 0.82 CXCR2 (0.64) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL6825964 0.81 KMT2A (0.56) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL7490952 0.81 KMT2A (0.54) MAPTKMT2AMEN1CXCR1CXCR2
SCHEMBL7623001 0.80 MAPT (0.60) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL7494939 0.78 CXCR2 (0.63) MAPTKMT2AMEN1CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed