SCHEMBL28224852

SCHEMBL28224852

C=CC(=O)C(C(C)=O)c1ccc(CN)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PLG P00747 2/20 0.35
KLK1 P06870 2/20 0.35
KLK6 Q92876 2/20 0.35
TPSAB1 Q15661 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
BACE1 P56817 2/20 0.35
ABAT P80404 1/20 0.34
EPHX1 P07099 1/20 0.33
THRB P10828 1/20 0.33
PSIP1 O75475 1/20 0.33

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
SCHEMBL28860721 0.85 LOXL2 (0.40) KDM4ESMN1; SMN2LOXL2NOS3NOS1
SCHEMBL8028836 0.80 ESR1 (0.43) KDM4EESR1ESR2ABAT
SCHEMBL28468309 0.80 TGM2 (0.42) SMN1; SMN2
SCHEMBL28469749 0.78 BRD4 (0.50) SMN1; SMN2THRB
SCHEMBL7252884 0.78 HDAC3 (0.42) SMN1; SMN2HDAC3HDAC6
SCHEMBL28470051 0.75 CYP1A2 (0.39) SMN1; SMN2
SCHEMBL8040582 0.75 MAPT (0.48) KDM4E
SCHEMBL8028848 0.74 MAPT (0.38) KDM4ELOXL2NOS3NOS1
SCHEMBL8042292 0.74 TGM2 (0.45)
SCHEMBL8279092 0.73 KDM4E (0.47) KDM4ESMN1; SMN2LOXL2NOS3NOS1

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-108358831-A A kind of polysubstituted carbazole derivates and preparation method thereof 山东师范大学 2018-08-03 CN disclosed