SCHEMBL7196802

SCHEMBL7196802

CC(Nc1c(C)cccc1C)=C1C=CCC(=C(C)Nc2c(C)cccc2C)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 3/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7196800 1.00 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6907187 0.74 SLC6A9 (0.33) L3MBTL1ATM
Fluoride Ion SCHEMBL6915194 0.74 SLC6A9 (0.32) L3MBTL1ATM
SCHEMBL6912535 0.72 SLC6A9 (0.33)
SCHEMBL7199377 0.67 LMNA (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1743188 0.63 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11247930 0.62 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19573921 0.61 ALDH1A1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL436967 0.61 ALDH1A1 (0.59) POLBALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL12627891 0.61 LMNA (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed