SCHEMBL12202056

SCHEMBL12202056

COc1cc(F)cc(C(C)=O)c1-n1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
MGAM O43451 5/20 0.47
AMY1A P0DUB6 5/20 0.47
SI P14410 5/20 0.47
MGAM2 Q2M2H8 5/20 0.47
F12 P00748 4/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42

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
SCHEMBL10103354 0.70 SMN1; SMN2 (0.48) GAAMGAMAMY1ASIMGAM2
SCHEMBL29193567 0.67 SMN1; SMN2 (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL2095767 0.67 KDM4E (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL12167112 0.67 KCNMA1 (0.42) GAAMGAMAMY1ASIMGAM2
SCHEMBL28678482 0.66 HDAC3 (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL21021687 0.66 GAA (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL2395074 0.66 KCNMA1 (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL15237507 0.65 KCNMA1 (0.52) GAAMGAMAMY1ASIMGAM2
SCHEMBL20676399 0.65 KCNMA1 (0.43) GAAMGAMAMY1ASIMGAM2
SCHEMBL18239427 0.65 MGAM (0.44) GAAMGAMAMY1ASIMGAM2

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-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed