SCHEMBL9416628

SCHEMBL9416628

COc1ccc(CNCc2cccc(OC)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
ALDH1A1 P00352 1/20 0.79
HTT P42858 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
HDAC1 Q13547 2/20 0.67
CHRM2 P08172 2/20 0.66
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HDAC3 O15379 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
BCHE P06276 4/20 0.59
CASR P41180 1/20 0.56
HTR2A P28223 1/20 0.56
SCN8A Q9UQD0 1/20 0.55

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
SCHEMBL1134127 0.93 CHRM2 (0.74) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL8880839 0.91 KDM4E (0.77) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL30245831 0.91 KDM4E (0.77) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL6122475 0.91 CHRM2 (0.72) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL7245167 0.90 KDM4E (0.66) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL24343795 0.85 ALDH1A1 (0.61) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL18635836 0.85 HDAC1 (0.68) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL4916089 0.85 CHRM2 (0.81) KDM4EALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL1279045 0.85 HTT (0.73) KDM4EALDH1A1HTTSMN1; SMN2CHRM2
SCHEMBL121529 0.84 CHRM2 (0.70) KDM4EALDH1A1HTTSMN1; SMN2HDAC1

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
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed