SCHEMBL8958463

SCHEMBL8958463

COCOCc1ccc(-c2ccccc2)c(C2=NC(C)(C)CO2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.35
LMNA P02545 2/20 0.35
ATM Q13315 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.32
IL2 P60568 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL7010101 0.87 HRH3 (0.40) HRH3KDM4ECYP2D6LMNAATM
SCHEMBL8958596 0.85 HRH3 (0.39) HRH3KDM4ECYP2D6LMNAATM
SCHEMBL7014838 0.79 HRH3 (0.37) HRH3KDM4ECYP2D6LMNAATM
SCHEMBL7009195 0.79 HRH3 (0.42) HRH3KDM4ECYP2D6LMNAATM
SCHEMBL8958413 0.77 HRH3 (0.34) HRH3KDM4ECYP2D6LMNA
SCHEMBL8958653 0.77 CREBBP (0.37) HRH3KDM4ECYP2D6
SCHEMBL7011786 0.76 HRH3 (0.38) HRH3KDM4ECYP2D6LMNAATM
Hydrochloric Acid SCHEMBL9308089 0.76 HRH3 (0.42) HRH3KDM4ECYP2D6LMNAATM
SCHEMBL7014831 0.75 HRH3 (0.36) HRH3KDM4ECYP2D6LMNAATM
SCHEMBL7112634 0.75 KDM4E (0.53) HRH3KDM4ECYP2D6LMNAATM

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-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed