SCHEMBL9531037

SCHEMBL9531037

CCO/C(=N\C#N)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
TBXAS1 P24557 3/20 0.43
TP53 P04637 2/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9531042 1.00 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1MAPTPOLB
SCHEMBL9528709 0.83 ALDH1A1 (0.51) ALDH1A1MAPTPOLBKMT2AGAA
SCHEMBL9528711 0.83 ALDH1A1 (0.51) ALDH1A1MAPTPOLBKMT2AGAA
SCHEMBL6444890 0.81 POLB (0.47) LMNAALDH1A1MAPTPOLBKMT2A
SCHEMBL6444893 0.81 POLB (0.47) LMNAALDH1A1MAPTPOLBKMT2A
SCHEMBL7969659 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPOLBTP53KMT2A
SCHEMBL7007267 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPOLBTP53KMT2A
SCHEMBL2088416 0.77 ALDH1A1 (0.46) LMNAALDH1A1MAPTPOLBKMT2A
SCHEMBL9529116 0.73 LMNA (0.46) LMNAALDH1A1MAPTPOLBKMT2A
Ethyl Nicotinate SCHEMBL27680325 0.73 L3MBTL1 (0.69) L3MBTL1LMNAALDH1A1MAPTTP53

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
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed