SCHEMBL30697175

SCHEMBL30697175

COc1cc(/C=C/C2Sc3ccccc3N2C)cc(Cl)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ MEN1 O00255 9/20 0.41
▸ KMT2A Q03164 9/20 0.41
▸ POLB P06746 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ PIM1 P11309 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
SCHEMBL29815420 0.92 ALOX5 (0.43) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL29815053 0.83 NFE2L2 (0.48) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL29815123 0.78 TRPA1 (0.41) SIRT1ALDH1A1ALOX5PIM1PTGS1
SCHEMBL31231844 0.78 APP (0.52) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL29815013 0.76 APP (0.35) MAPTKMT2ARAB9A
SCHEMBL28820816 0.75 BCHE (0.39) MAPTLMNAPOLBKDM4EHTT
SCHEMBL28820660 0.75 BCHE (0.39) MAPTLMNAPOLBKDM4EHTT
SCHEMBL29815326 0.74 LCK (0.41) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL29815022 0.71 CYP19A1 (0.41) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL29815035 0.71 NFE2L2 (0.41) MAPTMEN1KMT2AKDM4EALDH1A1

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
CN-117510432-A Application of benzothiazole fluorescent probe in simultaneous observation of various organelles 常熟理工学院 2024-02-06 — — CN disclosed
CN-117510433-A Benzothiazole organic compound and application thereof 常熟理工学院 2024-02-06 — — CN disclosed
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