SCHEMBL28111533

SCHEMBL28111533

N/C(=N\O)c1cccc(/C=C/c2ccc(O)c(O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 1.00
LCK P06239 2/20 0.56
NQO2 P16083 1/20 0.53
PTGS1 P23219 1/20 0.53

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
SCHEMBL28836347 0.85 KDM1A (1.00) KDM1ALCKNQO2
SCHEMBL31558284 0.81 KDM1A (1.00) KDM1A
SCHEMBL1931423 0.77 LCK (0.81) KDM1ALCKNQO2PTGS1
SCHEMBL4167957 0.75 KDM1A (0.65) KDM1A
SCHEMBL18717464 0.75 KDM1A (0.65) KDM1A
SCHEMBL12433083 0.75 KDM1A (0.65) KDM1A
SCHEMBL11891920 0.75 KDM1A (0.61) KDM1A
SCHEMBL6912953 0.75 KDM1A (0.61) KDM1A
Hydrochloric Acid SCHEMBL4168213 0.74 KDM1A (0.62) KDM1A
SCHEMBL31706727 0.73 LCK (1.00) LCKNQO2PTGS1

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-106045881-A Resveratrol derivative, preparation method thereof and application of resveratrol derivative serving as LSD1 inhibitor 新乡医学院 2016-10-26 CN disclosed