SCHEMBL22482415

SCHEMBL22482415

C/C=C(/C)NCN(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
BCHE P06276 1/20 0.33
PPIB P23284 1/20 0.33
HTT P42858 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
SCHEMBL8271347 0.81 MTNR1A (0.58) MTNR1AMTNR1BCA12CA2CA9
SCHEMBL3884172 0.73 GAA (0.55) LMNAL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6497592 0.69 ADH1B (0.45) CA12CA2CA9ALDH1A1KMT2A
SCHEMBL27744186 0.68 ALDH1A1 (0.54) CA12CA2CA9LMNAALDH1A1
SCHEMBL668864 0.68 ALDH1A1 (0.43) CA12CA2CA9LMNAL3MBTL1
SCHEMBL627478 0.68 ALDH1A1 (0.54) CA12CA2CA9LMNAALDH1A1
SCHEMBL7593883 0.68 CA12 (0.41) CA12CA2CA9ALDH1A1KMT2A
SCHEMBL9195863 0.67 CA12 (0.44) CA12CA2CA9ALDH1A1KMT2A
SCHEMBL6543119 0.67 L3MBTL1 (0.42) CA12CA2CA9L3MBTL1ALDH1A1
SCHEMBL7741833 0.66 CA12 (0.47) CA12CA2CA9LMNAL3MBTL1

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-2020192042-A1 ELECTROLUMINESCENT MATERIAL, METHOD FOR PREPARING ELECTROLUMINESCENT MATERIAL, AND LIGHT-EMITTING DEVICE 武汉华星光电半导体显示技术有限公司 2020-10-01 WO disclosed