SCHEMBL9720726

SCHEMBL9720726

COc1ccccc1N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 5/20 0.79
GAA P10253 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
MAPK1 P28482 2/20 0.67
DRD4 P21917 3/20 0.65
HTR7 P34969 3/20 0.65
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
KMT2A Q03164 1/20 0.62
MAPT P10636 1/20 0.62
DRD2 P14416 2/20 0.62
DRD3 P35462 2/20 0.62
HRH2 P25021 1/20 0.62
HRH1 P35367 1/20 0.62

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
SCHEMBL6908666 0.88 MAPK1 (0.69) KDM4EALDH1A1GAATDP1SMN1; SMN2
SCHEMBL9720648 0.87 HTR7 (0.70) KDM4EALDH1A1GAATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL11183243 0.86 MAPK1 (0.67) KDM4EALDH1A1GAATDP1SMN1; SMN2
SCHEMBL9720681 0.85 MAPK1 (0.78) KDM4EALDH1A1TDP1MAPK1DRD4
SCHEMBL6131781 0.85 KDM4E (0.69) KDM4EALDH1A1GAATDP1SMN1; SMN2
SCHEMBL9225440 0.84 MAPK1 (0.81) KDM4EALDH1A1TDP1MAPK1DRD4
SCHEMBL9720708 0.84 DRD4 (0.73) KDM4EALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL7691290 0.81 ALDH1A1 (0.71) KDM4EALDH1A1GAATDP1SMN1; SMN2
SCHEMBL9720699 0.81 HTR7 (0.65) KDM4EALDH1A1TDP1MAPK1DRD4
SCHEMBL6031061 0.81 MAPK1 (0.80) KDM4EALDH1A1TDP1MAPK1DRD4

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
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed