SCHEMBL5809245

SCHEMBL5809245

Cc1cc(C(=O)NN=CCc2ccccc2O)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
MAPT P10636 4/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
RECQL P46063 1/20 0.52

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
SCHEMBL5814381 0.89 ALDH1A1 (0.54) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5809466 0.89 ALDH1A1 (0.54) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5813675 0.89 KDM4E (0.56) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5809429 0.89 MAPT (0.55) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5809443 0.89 MAPT (0.55) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5814909 0.76 KDM4E (0.55) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5813195 0.76 ATM (0.49) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5813210 0.76 ATM (0.49) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5812782 0.76 KDM4E (0.55) KMT2AHTTHPGDRAB9AMAPT
SCHEMBL5809244 0.75 L3MBTL1 (0.69) KMT2AHTTHPGDRAB9AMAPT

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