SCHEMBL1006766

SCHEMBL1006766

Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.74
SMO Q99835 16/20 0.74
PARP10 Q53GL7 1/20 0.65

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
SCHEMBL3770846 0.92 MAPK14 (0.72) MAPK14SMO
SCHEMBL3649098 0.92 SMO (0.66) MAPK14SMOPARP10
SCHEMBL3649540 0.91 SMO (0.77) MAPK14SMO
Hydrochloric Acid SCHEMBL3648183 0.91 MAPK14 (0.71) MAPK14SMO
SCHEMBL3648255 0.89 SMO (0.74) MAPK14SMO
SCHEMBL3646138 0.88 SMO (0.76) MAPK14SMO
SCHEMBL3646122 0.88 SMO (0.72) MAPK14SMO
SCHEMBL3763093 0.87 MAPK14 (0.71) MAPK14SMO
Water SCHEMBL27817953 0.86 SMO (0.75) MAPK14SMO
SCHEMBL3769398 0.86 MAPK14 (0.89) MAPK14SMO

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
WO-2011010132-A1 SUSTAINED-RELEASE COMPOSITION COMPRISING COMPOUND 600 ASTRAZENECA AB (SE) 2011-01-27 WO disclosed