SCHEMBL8036111

SCHEMBL8036111

CC1(C)COC(C2=NCCS2)=N1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL11244830 0.68 KDM4E (0.46) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL471858 0.65 KDM4E (0.60) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL4462971 0.65 KDM4E (0.55) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL18380643 0.62 KDM4E (0.61) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL342910 0.60 KDM4E (0.59) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL15842842 0.60 KDM4E (0.50) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL15342923 0.60 KDM4E (0.41) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL15842513 0.60 KDM4E (0.53) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL8552733 0.60 KDM4E (0.49) KDM4EHTTLMNAMAPTCYP2D6
SCHEMBL15843192 0.60 KDM4E (0.45) KDM4EHTTLMNAMAPTCYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US claimed
CN-106559999-A Hollow porous fiber 金伯利-克拉克环球有限公司 2017-04-05 CN disclosed