SCHEMBL6182807

SCHEMBL6182807

Cc1cccc(C)c1N=C(NC(C)(C)C)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ATM Q13315 3/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 3/20 0.34
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 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
SCHEMBL4094027 0.88 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4094025 0.88 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4103879 0.80 RAPGEF4 (0.33) ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL6183450 0.78 POLB (0.38) GABRA1GABRB2ALDH1A1POLBSMN1; SMN2
SCHEMBL4109683 0.73 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16181187 0.72 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4105272 0.71 NOS1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4099866 0.71 POLB (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6183923 0.71 ALDH1A1 (0.37) SIGMAR1MEN1KMT2AALDH1A1POLB
SCHEMBL4099870 0.71 POLB (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed