SCHEMBL3705873

SCHEMBL3705873

CCCOc1ccccc1NN=C(C(C)=O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 3/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
NLRP1 Q9C000 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.46
MRGPRX1 Q96LB2 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL519078 0.88 GAA (0.55) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL519170 0.82 ALDH1A1 (0.70) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL24811169 0.80 GAA (0.49) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL16273521 0.79 GAA (0.48) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL3718869 0.78 MAPK1 (0.42) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL765365 0.77 MAPT (0.55) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL12998588 0.77 MAPT (0.55) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL7959649 0.77 RAB9A (0.67) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL518930 0.77 ALDH1A1 (0.56) GAARAB9AMAPTALDH1A1MAPK1
SCHEMBL14973882 0.77 MAPT (0.53) GAANPC1RAB9AMAPTALDH1A1

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
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed