SCHEMBL19006711

SCHEMBL19006711

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ APP P05067 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ SARM1 Q6SZW1 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ SIRT4 Q9Y6E7 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL18914748 0.80 L3MBTL1 (0.39) ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL18738967 0.76 ALDH1A1 (0.42) TBXAS1PKMALDH1A1GAAAPP
SCHEMBL28194257 0.76 ALDH1A1 (0.50) TBXAS1PKMALDH1A1GAAAPP
SCHEMBL19836575 0.75 GAA (0.50) TBXAS1ALDH1A1GAAAPPHCAR3
SCHEMBL18469285 0.75 ALDH1A1 (0.52) TBXAS1PKMALDH1A1GAAAPP
SCHEMBL6921845 0.75 ALDH1A1 (0.52) TBXAS1PKMALDH1A1GAAAPP
SCHEMBL17135323 0.75 ALDH1A1 (0.52) TBXAS1PKMALDH1A1GAAAPP
SCHEMBL13570303 0.75 TBXAS1 (0.46) TBXAS1PKMALDH1A1GAAAPP
SCHEMBL19836536 0.74 ALDH1A1 (0.53) TBXAS1ALDH1A1GAAAPPHCAR3
SCHEMBL22627059 0.74 PKM (0.42) TBXAS1PKMALDH1A1GAAAPP

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
US-11617290-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-28 — — US disclosed
US-20170179403-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
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