SCHEMBL29815035

SCHEMBL29815035

CN1c2ccccc2SC1/C=C/c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.41
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28820816 0.88 BCHE (0.39) MAOBMAOAKDM4EMAPT
SCHEMBL28820660 0.88 BCHE (0.39) MAOBMAOAKDM4EMAPT
SCHEMBL29814949 0.85 ERBB2 (0.37) MAOBMAOAGSK3BALDH1A1RAB9A
SCHEMBL29815013 0.85 APP (0.35) NFE2L2RAB9AKMT2AMAPTTP53
SCHEMBL29815022 0.85 CYP19A1 (0.41) MAOBMAOAMEN1RAB9AKMT2A
SCHEMBL29815216 0.83 KDM1A (0.38) NFE2L2PTGS1MEN1KMT2A
SCHEMBL31231848 0.83 APP (0.40) MAOAKCNH2SMN1; SMN2APP
SCHEMBL21300106 0.83 RELA (0.46) KCNH2MEN1RAB9AKMT2ANPC1
SCHEMBL29814945 0.82 ALOX5 (0.34) NFE2L2MAOAALOX5MEN1RAB9A
SCHEMBL29815326 0.81 LCK (0.41) GSK3BALOX5PTGS1PTGS2MEN1

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
CN-110308124-B Application of fluorescence probe containing benzothiazole compound in detecting bacterial messenger molecule c-di-GMP 暨南大学 2022-06-03 — — CN disclosed
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