SCHEMBL8538227

SCHEMBL8538227

CCC(CC)S(=O)(=O)c1cc(C)c(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
PDK1 Q15118 1/20 0.36
VCAM1 P19320 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
THRB P10828 3/20 0.34
HCAR3 P49019 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 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
SCHEMBL8544879 0.89 ALDH1A1 (0.37) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL27358004 0.87 PDK1 (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8540078 0.85 VCAM1 (0.37) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8541696 0.84 PDGFRB (0.34) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8537979 0.84 ALDH1A1 (0.40) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6937496 0.82 SLC9A1 (0.51)
SCHEMBL8538826 0.81 VCAM1 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8543074 0.81 ALDH1A1 (0.38) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8538235 0.79 SLC9A1 (0.44)
SCHEMBL8542930 0.79 VCAM1 (0.38) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed