SCHEMBL9770496

SCHEMBL9770496

O=c1c2cccc(F)c2nc2sccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.39
TRPV4 Q9HBA0 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 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
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9535677 0.82 TDP1 (0.50) CYP1A2TDP1GAAALDH1A1HPGD
SCHEMBL9537313 0.82 GAA (0.52) CYP1A2TDP1GAAHPGDHSD17B10
SCHEMBL9536991 0.82 CYP1A2 (0.50) CYP1A2TDP1GAAALDH1A1HPGD
SCHEMBL10696259 0.82 CYP1A2 (0.43) CYP1A2TDP1GAAALDH1A1HPGD
SCHEMBL28345207 0.80 CHEK1 (0.51) CYP1A2TDP1GAAALDH1A1HPGD
SCHEMBL9534241 0.79 PKM (0.50) CYP1A2TDP1ALDH1A1HPGDKDM4E
SCHEMBL9770762 0.77 CYP1A2 (0.43) CYP1A2TDP1GAAALDH1A1HPGD
SCHEMBL9534426 0.76 ALDH1A1 (0.43) CYP1A2TDP1ALDH1A1HPGDKDM4E
SCHEMBL6704339 0.75 KDM4E (0.54) CYP1A2TDP1GAAALDH1A1HPGD
SCHEMBL10695797 0.74 KDM4E (0.52) TRPV4ALDH1A1HPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP claimed
US-5030727-A Reacting an anthronilide derivative with a thiazole derivative or a fluorozuinazolone with a neucleophile BASF AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed