SCHEMBL10522006

SCHEMBL10522006

Cc1c(N)cccc1C1=NC(C)(C)CO1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.39
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HRH3 Q9Y5N1 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IL2 P60568 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL29505905 0.85 KDM4E (0.53) KDM4EHTTATMALDH1A1HRH3
SCHEMBL799202 0.85 KDM4E (0.53) KDM4EHTTATMALDH1A1HRH3
SCHEMBL14668870 0.84 KDM4E (0.56) KDM4EHTTATMALDH1A1HRH3
SCHEMBL1535944 0.81 KDM4E (0.53) KDM4EHTTATMALDH1A1HRH3
SCHEMBL1535946 0.80 KDM4E (0.51) KDM4EHTTATMALDH1A1HRH3
SCHEMBL18380643 0.79 KDM4E (0.61) KDM4EHTTATMALDH1A1HRH3
SCHEMBL29616919 0.79 KDM4E (0.61) KDM4EHTTATMALDH1A1HRH3
SCHEMBL9702416 0.79 KDM4E (0.50) KDM4EHTTATMALDH1A1HRH3
SCHEMBL1535976 0.79 KDM4E (0.50) KDM4EHTTATMALDH1A1HRH3
SCHEMBL4159068 0.77 KDM4E (0.54) KDM4EHTTATMALDH1A1HRH3

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-4824843-A Substituted amide inhibitors of cholesterol absorption WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed