SCHEMBL13920985

SCHEMBL13920985

CC(=O)c1cc(C)sc1Nc1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.45
MAPK12 P53778 9/20 0.45
MAPK11 Q15759 9/20 0.45
MAPK14 Q16539 9/20 0.45
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
BRD4 O60885 1/20 0.40
HDAC1 Q13547 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.38
MEN1 O00255 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
SCHEMBL8241193 0.89 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL935996 0.86 ALDH1A1 (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL12657206 0.83 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2537109 0.79 CHEK1 (0.53) MAPTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL13688636 0.79 MAPT (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL13040461 0.75 MAPT (0.41) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6857358 0.75 SMN1; SMN2 (0.42) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL13980288 0.74 CHEK1 (0.38) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL12227062 0.72 MAPT (0.41) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2541882 0.72 MAPT (0.41) MAPK13MAPK12MAPK11MAPK14MAPT

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-7498433-B2 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2009-03-03 US disclosed