SCHEMBL25796715

SCHEMBL25796715

CC(C)n1nc(S(N)(=O)=O)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
ADORA1 P30542 2/20 0.40
ESR2 Q92731 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
C5AR1 P21730 4/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
F12 P00748 2/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAP3K14 Q99558 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL25796716 0.81 C5AR1 (0.41) NR1H2ADORA1ESR2C5AR1F12
SCHEMBL18852439 0.79 ESR2 (0.39) NR1H2ADORA1ESR2DDB1CRBN
SCHEMBL25796720 0.78 CYP2C19 (0.33) BRD4CREBBP
SCHEMBL15635176 0.76 ADORA1 (0.49) NR1H2ADORA1ESR2DDB1CRBN
SCHEMBL22909708 0.75 F12 (0.49) NR1H2ADORA1ESR2C5AR1F12
SCHEMBL17795594 0.73 ADORA1 (0.40) NR1H2ADORA1ESR2DDB1CRBN
SCHEMBL14555911 0.72 ADORA1 (0.41) NR1H2ADORA1ESR2DDB1CRBN
SCHEMBL25211071 0.72 DDB1 (0.41) NR1H2ADORA1ESR2DDB1CRBN
SCHEMBL21255363 0.72 DDB1 (0.37) NR1H2ADORA1ESR2DDB1CRBN
SCHEMBL18359467 0.71 ESR2 (0.41) NR1H2ADORA1ESR2DDB1CRBN

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-2023116812-A1 SULFONYLUREA COMPOUND 瑞石生物医药有限公司 2023-06-29 WO disclosed