SCHEMBL9534657

SCHEMBL9534657

CC(C)Oc1cccc2nc3sccn3c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 4/20 0.41
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
HPGD P15428 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
SCHEMBL9534033 0.87 PKM (0.50) CYP1A2TDP1PKMKDM4ELMNA
SCHEMBL9533900 0.84 KDM4E (0.43) CYP1A2TDP1PKMKDM4EGAA
SCHEMBL9533415 0.81 PKM (0.41) CYP1A2TDP1PKMKDM4ELMNA
SCHEMBL9533910 0.81 PKM (0.46) CYP1A2TDP1PKMKDM4EMAPT
SCHEMBL9770762 0.80 CYP1A2 (0.43) CYP1A2TDP1PKMKDM4EGAA
SCHEMBL9535141 0.80 CYP1A2 (0.50) CYP1A2TDP1PKMGAALMNA
SCHEMBL9534833 0.77 CYP1A2 (0.50) CYP1A2TDP1PKMGAALMNA
SCHEMBL9534383 0.77 TDP1 (0.50) CYP1A2TDP1PKMKDM4EGAA
SCHEMBL9534961 0.76 CYP1A2 (0.43) CYP1A2TDP1PKMKDM4EGAA
SCHEMBL9532954 0.76 SMN1; SMN2 (0.41) CYP1A2PKMGAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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