SCHEMBL9770730

SCHEMBL9770730

Cc1ccc2c(=O)n3ccsc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 4/20 0.49
TP53 P04637 3/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL28345289 0.79 CYP1A2 (0.40) TDP1CYP1A2PKMSMN1; SMN2KDM4E
SCHEMBL9770726 0.79 ALDH1A1 (0.56) TDP1CYP1A2ALOX15NPC1RAB9A
SCHEMBL6704339 0.78 KDM4E (0.54) TDP1CYP1A2TP53NPC1RAB9A
SCHEMBL28345889 0.78 MAPT (0.49) TDP1CYP1A2SMN1; SMN2POLBKDM4E
SCHEMBL10695873 0.77 SMN1; SMN2 (0.44) TDP1CYP1A2PKMTP53NPC1
SCHEMBL16328033 0.75 ALOX15 (0.48) TDP1CYP1A2PKMTP53ALOX15
SCHEMBL9770674 0.73 CYP1A2 (0.50) TDP1CYP1A2PKMTP53ALOX15
SCHEMBL2427361 0.73 CYP1A2 (0.49) TDP1CYP1A2PKMSMN1; SMN2KDM4E
SCHEMBL28351806 0.72 KDM4E (0.67) TDP1TP53SMN1; SMN2POLBKDM4E
SCHEMBL9535141 0.71 CYP1A2 (0.50) TDP1CYP1A2PKMTP53NPC1

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
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