SCHEMBL8277147

SCHEMBL8277147

Cc1c(C(N)=O)oc2ccc(S(=O)(=O)Nc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
HIF1A Q16665 12/20 0.55
ALDH1A1 P00352 3/20 0.51
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
STAT3 P40763 1/20 0.49
STAT1 P42224 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL5501667 0.90 GAA (0.69) GAAHIF1AALDH1A1SMN1; SMN2MEN1
SCHEMBL1156495 0.82 TDP1 (0.64) GAAHIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL26603400 0.80 GAA (0.59) GAAHIF1AALDH1A1USP2LMNA
SCHEMBL30626166 0.80 HIF1A (0.73) GAAHIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL26603310 0.80 HIF1A (0.73) GAAHIF1AALDH1A1LMNASMN1; SMN2
SCHEMBL26603470 0.79 GAA (0.59) GAAHIF1AALDH1A1USP2LMNA
SCHEMBL30709101 0.79 GAA (0.59) GAAHIF1AALDH1A1USP2LMNA
SCHEMBL1158781 0.78 HPGD (0.51) GAAALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL26603583 0.78 GAA (0.57) GAAHIF1AALDH1A1SMN1; SMN2
SCHEMBL30709096 0.78 GAA (0.57) GAAHIF1AALDH1A1SMN1; SMN2

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-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO disclosed