SCHEMBL10867366

SCHEMBL10867366

COc1cc(C=CC=CC(=O)N2CCN(C(C)C(N)=O)CC2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 8/20 0.57
HPGD P15428 4/20 0.57
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB1 P08183 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
STAT6 P42226 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11203597 0.92 KDM4E (0.67) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6785121 0.87 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6785718 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6792426 0.82 KDM4E (0.57) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL25309070 0.81 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10669882 0.81 CACNA2D1 (0.59) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10669880 0.81 CACNA2D1 (0.59) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5570647 0.81 KDM4E (0.63) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5570650 0.81 KDM4E (0.63) ALDH1A1KDM4EHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL5572589 0.80 KDM4E (0.62) ALDH1A1KDM4EHPGDKMT2AMEN1

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-0175331-A1 Piperazine Derivatives TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-03-26 EP disclosed