SCHEMBL7993476

SCHEMBL7993476

CCn1c(C(=O)O)cc2cccc([N+](=O)[O-])c21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.64
FDPS P14324 1/20 0.45
APEX1 P27695 1/20 0.44
GPR35 Q9HC97 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR9 P51686 1/20 0.40
FBP1 P09467 1/20 0.40
POLB P06746 2/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL3255649 0.82 CCR2 (0.55) CCR2APEX1GPR35TSHRTDP1
SCHEMBL27964872 0.79 CCR2 (0.58) CCR2APEX1GPR35TSHRTDP1
SCHEMBL28294933 0.79 CCR2 (0.55) CCR2FDPSAPEX1GPR35TSHR
SCHEMBL4204922 0.78 CCR2 (0.72) CCR2CCR9
SCHEMBL28079176 0.78 CCR2 (0.54) CCR2FDPSAPEX1POLBMCL1
SCHEMBL18247738 0.77 FDPS (0.49) CCR2FDPSGPR35CCR9POLB
SCHEMBL18247448 0.77 CCR2 (0.61) CCR2FDPSGPR35CCR9POLB
SCHEMBL19921311 0.75 CCR2 (0.65) CCR2FDPSGPR35POLBMCL1
SCHEMBL28720908 0.75 FDPS (0.47) CCR2FDPSGPR35CCR9POLB
SCHEMBL1653950 0.74 CCR2 (0.46) CCR2TSHRPOLBALDH1A1CYP1A2

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
CN-102199148-A Benzenesulfonamide derivatives and pharmaceutical compositions thereof PURZER PHARMACEUTICAL CO LTD 2011-09-28 CN disclosed
US-6294672-B1 FOR THERAPY OF DIABETES, AND OTHER DISEASES WHERE THE INHIBITION OF GLUCONEOGENESIS, CONTROL OF BLOOD GLUCOSE LEVELS, REDUCTION IN GLYCOGEN STORES, OR REDUCTION IN INSULIN LEVELS IS BENEFICIAL METABASIS THERAPEUTICS, INC. 2001-09-25 US disclosed
US-6054587-A ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. (US) 2000-04-25 US disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed