SCHEMBL9535677

SCHEMBL9535677

O=c1c2cccc(Br)c2nc2sccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.39
PKM P14618 3/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NTRK1 P04629 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NLRP3 Q96P20 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL9770496 0.82 CYP1A2 (0.43) TDP1CYP1A2GAAPKMKDM4E
SCHEMBL9537313 0.82 GAA (0.52) TDP1CYP1A2GAAPKMLMNA
SCHEMBL9536991 0.82 CYP1A2 (0.50) TDP1CYP1A2GAAPKMKDM4E
SCHEMBL28345207 0.80 CHEK1 (0.51) TDP1CYP1A2GAAKDM4EALDH1A1
SCHEMBL10696259 0.79 CYP1A2 (0.43) TDP1CYP1A2GAAPKMKDM4E
SCHEMBL9534241 0.79 PKM (0.50) TDP1CYP1A2PKMKDM4ELMNA
SCHEMBL9534383 0.77 TDP1 (0.50) TDP1CYP1A2GAAPKMKDM4E
SCHEMBL9534426 0.76 ALDH1A1 (0.43) TDP1CYP1A2PKMKDM4ELMNA
SCHEMBL6704339 0.75 KDM4E (0.54) TDP1CYP1A2GAAKDM4ELMNA
SCHEMBL2427361 0.70 CYP1A2 (0.49) TDP1CYP1A2PKMKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862385-B Application of copper catalyst in preparation of thiazoloquinazolinone derivative through reaction of 1-thiazolylindole compound and tert-butyl nitrite 苏州大学 2020-12-08 CN disclosed
CN-110862385-A Application of copper catalyst in preparation of thiazoloquinazolinone derivative through reaction of 1-thiazolylindole compound and tert-butyl nitrite 苏州大学 2020-03-06 CN disclosed
CN-108774248-B Method for preparing thiazoloquinazolinone derivative 苏州大学 2020-01-14 CN disclosed
EP-0263523-B1 Process for the preparation of thiazolo [2,3-b] quinazolones BASF AG (DE) 1993-12-29 EP disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed