SCHEMBL5377236

SCHEMBL5377236

NC(=O)c1nn(-c2ccc(OCC(O)CO)cc2)c2c1CCc1ccc(NC(=O)c3cc(N)ccc3Cl)cc1-2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.58
CHUK O15111 1/20 0.54

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
SCHEMBL5337107 0.91 IKBKB (0.60) IKBKBCHUK
SCHEMBL5333199 0.88 IKBKB (0.59) IKBKBCHUK
SCHEMBL5334295 0.87 IKBKB (0.74) IKBKBCHUK
SCHEMBL5339604 0.86 IKBKB (0.55) IKBKBCHUK
SCHEMBL5334175 0.85 IKBKB (0.69) IKBKBCHUK
SCHEMBL5340714 0.84 IKBKB (0.73) IKBKBCHUK
SCHEMBL14558812 0.82 IKBKB (0.60) IKBKBCHUK
SCHEMBL5335615 0.82 IKBKB (0.58) IKBKBCHUK
SCHEMBL14558192 0.82 IKBKB (0.60) IKBKBCHUK
Hydrochloric Acid SCHEMBL5333316 0.82 IKBKB (0.60) IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed