SCHEMBL28513208

SCHEMBL28513208

Nc1ccc(C#Cc2cc3c4c(cccc4c2)C(=O)OC3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 11/20 0.50
▸ APP P05067 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MPO P05164 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL1565203 0.78 TYMS (0.64) TYMSMAPTMPOMEN1RAB9A
SCHEMBL3851765 0.77 TYMS (0.58) TYMS
SCHEMBL21650723 0.75 TYMS (0.47) TYMS
SCHEMBL28653674 0.74 TYMS (0.53) TYMS
SCHEMBL29713399 0.73 TYMS (0.45) TYMS
SCHEMBL21631279 0.73 TYMS (0.45) TYMS
SCHEMBL29713398 0.72 TYMS (0.64) TYMSMAPTKMT2A
SCHEMBL1890003 0.72 TYMS (0.64) TYMSMAPTKMT2A
1,8-Naphthalic Anhydride SCHEMBL29351054 0.70 TYMS (1.00) TYMSMAPTMEN1KMT2AL3MBTL1
1,8-Naphthalic Anhydride SCHEMBL30415 0.70 TYMS (1.00) TYMSMAPTMEN1KMT2AL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272432-B Acid-resistant light-operated fluorescent molecular switch and synthesis method and application thereof 中国科学院大连化学物理研究所 2021-11-09 — — CN claimed
CN-110272437-B Visible light-operated SNAP protein tag acid-resistant fluorescent molecular switch and synthesis thereof 中国科学院大连化学物理研究所 2021-06-11 — — CN claimed
CN-110272640-B Acid-fast bacterium super-resolution imaging dye and synthetic method and application thereof 中国科学院大连化学物理研究所 2020-12-04 — — CN claimed
CN-110272638-B Visible light-controlled acid-resistant fluorescent molecular switch and synthesis method thereof 中国科学院大连化学物理研究所 2020-12-04 — — CN claimed
CN-110272428-B Visible light-operated acid-resistant fluorescent molecular switch and synthesis method thereof 中国科学院大连化学物理研究所 2021-11-09 — — CN disclosed
CN-110272432-B Acid-resistant light-operated fluorescent molecular switch and synthesis method and application thereof 中国科学院大连化学物理研究所 2021-11-09 — — CN disclosed
CN-110272437-B Visible light-operated SNAP protein tag acid-resistant fluorescent molecular switch and synthesis thereof 中国科学院大连化学物理研究所 2021-06-11 — — CN disclosed
CN-110272640-B Acid-fast bacterium super-resolution imaging dye and synthetic method and application thereof 中国科学院大连化学物理研究所 2020-12-04 — — CN disclosed
CN-110272638-B Visible light-controlled acid-resistant fluorescent molecular switch and synthesis method thereof 中国科学院大连化学物理研究所 2020-12-04 — — CN disclosed
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