SCHEMBL28293864

SCHEMBL28293864

C=C(Oc1ccc(N=Nc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
ACHE P22303 4/20 0.48
CES1 P23141 4/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 7/20 0.47
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
PPARA Q07869 2/20 0.43
ELANE P08246 1/20 0.43
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 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
SCHEMBL134190 0.86 MAPT (0.56) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL1043461 0.84 MAPT (0.50) ALDH1A1MAPTKMT2ARAB9AMEN1
Biphenyl SCHEMBL29274369 0.82 MAPT (0.51) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL27775902 0.82 MAPT (0.48) CES2ACHECES1ALDH1A1MAPT
SCHEMBL22773496 0.81 ELANE (0.61) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL11672976 0.80 LMNA (0.50) ALDH1A1MAPTKMT2ARAB9AMEN1
Acrylic Acid SCHEMBL7521347 0.79 MAPT (0.49) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL5899648 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL5557031 0.77 CYP1A2 (0.50) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL941110 0.77 ELANE (0.64) ALDH1A1MAPTKMT2ARAB9AMEN1

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
CN-109796567-A A kind of orientation self-assembled block copolymers and its synthesis and application method containing liquid crystal cells 复旦大学 2019-05-24 CN disclosed