SCHEMBL8327253

SCHEMBL8327253

Cc1ccc(S(=O)(=O)c2cccc3[nH]c(CCC4=NO[C@@H](CC(=O)O)C4)nc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR2 P41597 3/20 0.35
THRB P10828 1/20 0.33
MIF P14174 2/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HTR6 P50406 3/20 0.32
NTRK1 P04629 1/20 0.32
GAA P10253 1/20 0.32
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CACNA1H O95180 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 1/20 0.31

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
SCHEMBL8327356 0.72 GAA (0.38) SMN1; SMN2LMNATP53CASP1CASP7
SCHEMBL8331002 0.71 GAA (0.43) SMN1; SMN2LMNACCR2GAAFEN1
SCHEMBL8327401 0.71 GAA (0.39) SMN1; SMN2LMNATP53CASP1CASP7
SCHEMBL8324966 0.69 CACNA1G (0.39) SMN1; SMN2LMNATP53CASP1CASP7
SCHEMBL8327247 0.68 PARP1 (0.46) SMN1; SMN2PARP1GAAFEN1ALDH1A1
SCHEMBL8328463 0.67 SMN1; SMN2 (0.35) SMN1; SMN2LMNACCR2GAAFEN1
SCHEMBL8712895 0.66 FEN1 (0.41) SMN1; SMN2HTR6GAAFEN1ALDH1A1
SCHEMBL8329409 0.65 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPARP1GAAALDH1A1
SCHEMBL9548389 0.63 ALDH1A1 (0.38) SMN1; SMN2LMNAGAAALDH1A1TDP1
SCHEMBL6945407 0.59 LMNA (0.45) SMN1; SMN2LMNAPARP1NTRK1

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
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed