SCHEMBL28859619

SCHEMBL28859619

O=C1C=CN(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
ELANE P08246 2/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
EP300 Q09472 1/20 0.41
RGS4 P49798 1/20 0.41
ALDH2 P05091 1/20 0.41

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
SCHEMBL25435490 0.70 MGLL (1.00) MGLLGSK3AGSK3BELANEF2
SCHEMBL207740 0.70 MGLL (1.00) MGLLGSK3AGSK3BELANEF2
SCHEMBL10430467 0.69 HPGD (0.46) MGLLGSK3AGSK3BELANEF2
SCHEMBL1078286 0.69 SIGMAR1 (0.48) MGLLGSK3AGSK3BELANEF2
SCHEMBL11052192 0.68 KMT2A (0.59) ELANEF2PLGCTSGCMA1
SCHEMBL27477427 0.68 HPGD (0.49) MGLLGSK3AGSK3BELANEF2
SCHEMBL8985073 0.66 GSK3B (0.67) MGLLGSK3AGSK3BELANEF2
SCHEMBL13793073 0.66 ELANE (0.82) MGLLGSK3AGSK3BELANEF2
Hydrochloric Acid SCHEMBL29906145 0.65 GSK3A (0.37) MGLLGSK3AGSK3BELANEF2
SCHEMBL26113746 0.65 PARP1 (0.49) MGLLGSK3AGSK3BELANEF2

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-108033969-A A kind of Oxoindole spiral shell tetrahydrofuran-compound and its preparation method and application 中国医药集团总公司四川抗菌素工业研究所 2018-05-15 CN claimed