SCHEMBL6965031

SCHEMBL6965031

CCN(CC)c1ccc(C(=O)Nc2cc(NC(=O)Oc3ccnc(N4CCCCC4)c3)ccc2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.42
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
SMO Q99835 1/20 0.41
RAF1 P04049 1/20 0.40
HSPB1 P04792 1/20 0.40
LYN P07948 1/20 0.40
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GBA1 P04062 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6964508 0.92 MAPK14 (0.51) MAPK14SMORAF1GBA1
SCHEMBL6975740 0.87 MAPK14 (0.53) MAPK14RAF1HSPB1LYN
SCHEMBL6968279 0.86 MAPK14 (0.52) MAPK14RAF1HSPB1LYN
SCHEMBL6975168 0.79 MAPK14 (0.61) MAPK14RAF1HSPB1GBA1
SCHEMBL6975392 0.79 MAPK14 (0.53) MAPK14SMORAF1
SCHEMBL6979925 0.79 MAPK14 (0.50) MAPK14SMORAF1GBA1
SCHEMBL6978912 0.78 MAPK14 (0.46) MAPK14MAPTSMOALDH1A1GBA1
SCHEMBL6976381 0.74 HPGDS (0.54) MAPK14RAF1LYNSMN1; SMN2ABL1
SCHEMBL6970350 0.74 LMNA (0.50) MAPK14MAPTTP53RAF1MEN1
SCHEMBL6972777 0.73 HPGDS (0.55) MAPK14RAF1LYNABL1BCR

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-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed