SCHEMBL17607341

SCHEMBL17607341

CCCCCCCCCCCC(O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TBXAS1 P24557 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.46
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.44
CYP51A1 Q16850 5/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2012891 0.98 L3MBTL1 (0.50) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL9629718 0.93 L3MBTL1 (0.51) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL906187 0.88 SMN1; SMN2 (0.53) LMNAL3MBTL1SMN1; SMN2TBXAS1KCNA5
SCHEMBL9830214 0.88 SMN1; SMN2 (0.53) LMNAL3MBTL1SMN1; SMN2TBXAS1KCNA5
SCHEMBL25003559 0.85 L3MBTL1 (0.50) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL20940017 0.85 L3MBTL1 (0.50) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL18559596 0.85 L3MBTL1 (0.50) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL18842833 0.85 L3MBTL1 (0.50) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL29024102 0.84 LMNA (0.45) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1
SCHEMBL21005661 0.83 L3MBTL1 (0.49) LMNAL3MBTL1SMN1; SMN2TBXAS1TDP1

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-2016042280-A1 CONJUGATES OF AMINO ACID-PYRIDINE/PYRIDINIUM AND USES THEREOF AS BIOCIDAL AGENTS Université de Nice Sophia Antipolis (FR) 2016-03-24 WO disclosed