SCHEMBL12647206

SCHEMBL12647206

Cc1ccc(-c2cncc(C(N)=O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.69
MKNK2 Q9HBH9 8/20 0.69
CYP11B2 P19099 2/20 0.58
CYP11B1 P15538 1/20 0.58
MAP4K4 O95819 2/20 0.57
CHEK2 O96017 1/20 0.51
DHODH Q02127 1/20 0.51
HDAC1 Q13547 2/20 0.51
CHRNA7 P36544 1/20 0.51
DGAT1 O75907 1/20 0.51
SCN10A Q9Y5Y9 2/20 0.49

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
SCHEMBL6754398 0.85 MKNK1 (0.67) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL1785559 0.84 MKNK1 (0.68) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL28760070 0.84 MKNK1 (0.57) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL13770291 0.83 MKNK1 (0.69) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL27986242 0.83 MKNK1 (0.87) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL2488476 0.82 MKNK1 (0.77) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL30108186 0.82 MKNK1 (0.65) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL29870407 0.82 MAP4K4 (0.83) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL1758530 0.82 MAP4K4 (0.83) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL30108216 0.82 DHODH (0.60) MKNK1MKNK2CYP11B2CYP11B1MAP4K4

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-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US disclosed