SCHEMBL17227435

SCHEMBL17227435

CC(=O)C(=NNc1ccc(C(=O)NN)cc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
GFER P55789 2/20 0.47
MPO P05164 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM5A P29375 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
GAA P10253 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
OGG1 O15527 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 4/20 0.45

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
SCHEMBL518614 0.83 NOS1 (0.46) MAPTGFERKDM4EALDH1A1NPC1
SCHEMBL518402 0.77 ALDH1A1 (0.53) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL13259398 0.77 MAPT (0.53) MAPTGFERCYP3A4HIF1AKDM4E
SCHEMBL519184 0.75 SMN1; SMN2 (0.55) MAPTCYP3A4KDM4EALDH1A1NPC1
SCHEMBL11860787 0.75 MAPT (0.56) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL518754 0.75 ALDH1A1 (0.51) MAPTGFERKDM4EALDH1A1NPC1
SCHEMBL518727 0.75 MEN1 (0.52) MAPTGFERALDH1A1NPC1RAB9A
SCHEMBL8369509 0.75 MAPT (0.42) MAPTGFERKDM4EALDH1A1NPC1
SCHEMBL518630 0.75 EPHX2 (0.50) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL18793258 0.75 MAPT (0.45) MAPTGFERCYP3A4KDM4EALDH1A1

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-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed