SCHEMBL11244830

SCHEMBL11244830

CC1(C)COC(C2=NCCO2)=N1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL28242793 0.82 KDM4E (0.59) KDM4EHTTLMNAMAPTHRH3
SCHEMBL351341 0.75 ADRA2A (0.39) HRH3CYP2D6
Methane SCHEMBL27599015 0.72 ADRA2A (0.37) HRH3CYP2D6
SCHEMBL31001159 0.72 ADRA2A (0.37) HRH3CYP2D6
SCHEMBL471858 0.68 KDM4E (0.60) KDM4EHTTLMNAMAPTHRH3
SCHEMBL4462971 0.68 KDM4E (0.55) KDM4EHTTLMNAMAPTHRH3
SCHEMBL8036111 0.68 KDM4E (0.42) KDM4EHTTLMNAMAPTHRH3
SCHEMBL11254269 0.66 NOS3 (0.50) HRH3CYP2D6
SCHEMBL18036625 0.66 KDM4E (0.30) KDM4E
SCHEMBL18380643 0.65 KDM4E (0.61) KDM4EHTTLMNAMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020059834-A1 RESIN-METAL COMPOSITE AND METHOD FOR PRODUCING SAME 三菱エンジニアリングプラスチックス株式会社 2020-03-26 WO disclosed
WO-2020059836-A1 RESIN-METAL COMPOSITE AND METHOD FOR PRODUCING SAME 三菱エンジニアリングプラスチックス株式会社 2020-03-26 WO disclosed
US-4331800-A CHAIN EXTENSION WITH A BIS/CYCLIC IMINOETHER TEIJIN LIMITED (JP) 1982-05-25 US disclosed
EP-0020944-A1 Process for producing aromatic polyesters having an increased degree of polymerisation, these aromatic polyesters, process for producing molded articles composed thereof, and these molded articles TEIJIN LIMITED (JP) 1981-01-07 EP disclosed