SCHEMBL29657204

SCHEMBL29657204

Cc1ccc2sc(-c3ccccc3N)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.69
▸ RAB9A P51151 11/20 0.69
▸ KDM4E B2RXH2 10/20 0.69
▸ NPC1 O15118 10/20 0.69
▸ GAA P10253 8/20 0.69
▸ SMN1; SMN2 Q16637 7/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ L3MBTL1 Q9Y468 3/20 0.69
▸ TP53 P04637 1/20 0.61
▸ GLA P06280 4/20 0.47
▸ APP P05067 2/20 0.47
▸ POLB P06746 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ SNCA P37840 1/20 0.44
▸ CASP7 P55210 1/20 0.44

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
SCHEMBL5664358 0.88 MAPT (0.69) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL23176467 0.86 MAPT (0.55) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL17265012 0.83 MAPT (0.57) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL29478092 0.83 MAPT (0.71) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL25327971 0.83 MAPT (0.71) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL914476 0.82 KDM4E (1.00) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL29437945 0.82 KDM4E (1.00) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL25329016 0.81 MAPT (0.69) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL30211740 0.81 MAPT (0.69) MAPTRAB9AKDM4ENPC1GAA
SCHEMBL15426366 0.81 MAPT (0.54) MAPTRAB9AKDM4ENPC1GAA

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-112239431-B Method for preparing 2-benzothiazole substituted aniline compound by catalysis of copper compound 广州大学 2022-05-13 — — CN disclosed
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