SCHEMBL6573872

SCHEMBL6573872

CCN(CC)c1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N4CCOCC4)c3)ccc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.68
SMO Q99835 1/20 0.64
GBA1 P04062 1/20 0.59
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL6782804 0.89 MAPK14 (0.73) MAPK14SMORAB9AMAPTHTT
SCHEMBL6487809 0.88 MAPK14 (0.69) MAPK14SMORAB9AMAPTHTT
SCHEMBL2972180 0.87 MAPK14 (0.55) MAPK14SMOGBA1
SCHEMBL6485580 0.87 MAPK14 (0.75) MAPK14SMORAB9AMAPTHTT
SCHEMBL7809567 0.85 MAPK14 (0.67) MAPK14SMO
SCHEMBL6487603 0.84 MAPK14 (0.60) MAPK14SMORAB9AMAPTHTT
SCHEMBL6484389 0.84 MAPK14 (0.70) MAPK14SMORAB9AMAPTHTT
SCHEMBL6478056 0.84 MAPK14 (0.68) MAPK14SMORAB9AMAPTHTT
SCHEMBL27533108 0.83 GBA1 (0.54) MAPK14GBA1RAB9AMAPTHTT
SCHEMBL6488842 0.83 MAPK14 (0.71) MAPK14SMORAB9AMAPTHTT

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
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP claimed