SCHEMBL5809443

SCHEMBL5809443

Cc1cc(C(=O)NN=CCc2ccc(O)c(O)c2O)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
LMNA P02545 5/20 0.55
KDM4E B2RXH2 5/20 0.55
HTT P42858 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.50

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
SCHEMBL5809429 1.00 MAPT (0.55) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5809245 0.89 KMT2A (0.57) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5813210 0.87 ATM (0.49) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5813195 0.87 ATM (0.49) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5812782 0.87 KDM4E (0.55) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5814909 0.87 KDM4E (0.55) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5814381 0.78 ALDH1A1 (0.54) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5809466 0.78 ALDH1A1 (0.54) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5813675 0.78 KDM4E (0.56) MAPTL3MBTL1LMNAKDM4EHTT
SCHEMBL5809423 0.77 L3MBTL1 (0.65) MAPTL3MBTL1LMNAKDM4EHTT

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 2 patents. 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 claimed
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