SCHEMBL31471817

SCHEMBL31471817

CC(C)(C)OC(=O)N1CC2CC1CN2S(=O)(=O)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.63
F13A1 P00488 1/20 0.55
TGM2 P21980 1/20 0.55
TGM1 P22735 1/20 0.55
PARP1 P09874 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PKM P14618 3/20 0.41
GCKR Q14397 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
POLB P06746 2/20 0.39
HDAC1 Q13547 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SPR P35270 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL31471875 0.91 HSD11B1 (0.52) HSD11B1F13A1TGM2TGM1GPR119
SCHEMBL31472006 0.81 HSD11B1 (0.79) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL15932400 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31471811 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL17075769 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL17075765 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL30121356 0.78 HSD11B1 (0.81) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL31471842 0.78 HSD11B1 (0.76) HSD11B1F13A1TGM2TGM1PARP1
SCHEMBL5320715 0.78 GCKR (0.52) GPR119PKMGCKRPOLBMAPT
SCHEMBL12786806 0.77 HSD11B1 (1.00) HSD11B1F13A1TGM2TGM1GPR119

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
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed