SCHEMBL14569656

SCHEMBL14569656

NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3ccc(CI)c(N)c3)cc1-2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.67
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5341703 0.89 IKBKB (0.74) IKBKB
SCHEMBL5341043 0.88 IKBKB (0.73) IKBKBNPC1GAAMAPTRAB9A
SCHEMBL5338412 0.86 IKBKB (0.75) IKBKB
SCHEMBL5341269 0.85 IKBKB (0.70) IKBKB
SCHEMBL5334106 0.85 IKBKB (0.68) IKBKBNPC1GAAMAPTRAB9A
SCHEMBL5336628 0.84 IKBKB (0.69) IKBKB
SCHEMBL5337751 0.84 IKBKB (0.69) IKBKB
SCHEMBL5339928 0.83 IKBKB (0.79) IKBKB
SCHEMBL6494530 0.82 IKBKB (0.80) IKBKB
SCHEMBL14558237 0.82 IKBKB (0.70) IKBKB

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