SCHEMBL9999615

SCHEMBL9999615

NCCC(=O)NCCc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.52
TBXAS1 P24557 2/20 0.48
TERT O14746 1/20 0.47
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NAMPT P43490 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HRH4 Q9H3N8 1/20 0.38

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
Treamid SCHEMBL17483104 0.88 TBXAS1 (0.54) LMNATBXAS1TERTPRMT5WDR77
SCHEMBL8278814 0.85 TBXAS1 (0.48) TSHRTBXAS1TERTNAMPT
SCHEMBL18381303 0.82 TBXAS1 (0.64) TSHRLMNATBXAS1TERTNAMPT
SCHEMBL17470979 0.81 SMN1; SMN2 (0.52) TBXAS1TERTNAMPT
SCHEMBL18381200 0.81 TBXAS1 (0.45) LMNATBXAS1TERTPRMT5WDR77
SCHEMBL28308832 0.81 TERT (0.46) TBXAS1TERTPRMT5WDR77NAMPT
SCHEMBL7426540 0.79 TERT (0.54) TBXAS1TERTNAMPTGAA
SCHEMBL9081976 0.78 TERT (0.53) TSHRCYP2C19LMNATBXAS1TERT
SCHEMBL23969907 0.75 TBXAS1 (0.40) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17383408 0.75 GAA (0.58) TSHRNAMPTGAA

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-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed