SCHEMBL8328463

SCHEMBL8328463

Cc1ccc(S(=O)(=O)c2cccc3[nH]c(CCCCON(Cl)Cl)nc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 3/20 0.35
FEN1 P39748 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHEK1 O14757 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
CCR2 P41597 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 0.80 GAA (0.38) SMN1; SMN2GAAFEN1KMT2APOLB
SCHEMBL8331002 0.77 GAA (0.43) SMN1; SMN2GAAFEN1KMT2ALMNA
SCHEMBL8327401 0.77 GAA (0.39) SMN1; SMN2GAAFEN1KMT2APOLB
SCHEMBL8327247 0.73 PARP1 (0.46) SMN1; SMN2GAAFEN1KMT2AALDH1A1
SCHEMBL8324966 0.72 CACNA1G (0.39) SMN1; SMN2GAAFEN1KMT2ALMNA
SCHEMBL8712895 0.71 FEN1 (0.41) SMN1; SMN2GAAFEN1KMT2AALDH1A1
SCHEMBL8327253 0.67 SMN1; SMN2 (0.36) SMN1; SMN2GAAFEN1LMNAALDH1A1
SCHEMBL7798219 0.67 HSD11B1 (0.49) KMT2APOLBLMNAALDH1A1KDM4E
SCHEMBL7576292 0.67 GPR84 (0.42) POLBALDH1A1CHEK1
SCHEMBL11850400 0.66 GPR84 (0.43) POLBALDH1A1

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