SCHEMBL5814385

SCHEMBL5814385

CC(=NNC(=O)c1cc(C)nc2ccc(F)cc12)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.53
KDM1A O60341 1/20 0.51
MAPT P10636 3/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 1/20 0.50
MTOR P42345 1/20 0.47

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
SCHEMBL5809461 1.00 GAA (0.56) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5809244 0.88 L3MBTL1 (0.69) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5809250 0.88 L3MBTL1 (0.69) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5813681 0.87 GAA (0.58) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5813671 0.87 GAA (0.58) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5813205 0.86 GAA (0.50) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5813192 0.86 GAA (0.50) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5814381 0.78 ALDH1A1 (0.54) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5809466 0.78 ALDH1A1 (0.54) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5809423 0.76 L3MBTL1 (0.65) GAAALDH1A1L3MBTL1NPC1RAB9A

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
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO disclosed