SCHEMBL28455017

SCHEMBL28455017

CC(Cl)COc1ccc(N=Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
TRPA1 O75762 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
PLA2G4B P0C869 3/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
SRD5A2 P31213 1/20 0.46
RARB P10826 1/20 0.46
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NR4A2 P43354 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28455013 1.00 MAPK1 (0.51) MAPK1TRPA1NR1H4PLA2G4BRXRA
SCHEMBL8544883 0.91 MAPK1 (0.60) MAPK1NR1H4PLA2G4BRXRARXRB
SCHEMBL8544888 0.91 MAPK1 (0.60) MAPK1NR1H4PLA2G4BRXRARXRB
SCHEMBL28461596 0.86 PLA2G4B (0.48) MAPK1TRPA1NR1H4PLA2G4BRXRA
SCHEMBL28461594 0.86 PLA2G4B (0.48) MAPK1TRPA1NR1H4PLA2G4BRXRA
SCHEMBL28451602 0.83 PLA2G4B (0.49) MAPK1TRPA1PLA2G4BRXRARXRB
SCHEMBL28451599 0.83 PLA2G4B (0.49) MAPK1TRPA1PLA2G4BRXRARXRB
SCHEMBL28454073 0.81 PLA2G4B (0.53) MAPK1TRPA1PLA2G4BRARBTP53
SCHEMBL28454072 0.81 PLA2G4B (0.53) MAPK1TRPA1PLA2G4BRARBTP53
SCHEMBL834902 0.77 NR1H4 (0.70) MAPK1NR1H4PLA2G4BRXRARXRB

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-109761970-B Protein targeted degradation chimeric molecule, preparation method and application 中国药科大学 2020-06-09 CN disclosed