SCHEMBL7336002

SCHEMBL7336002

COC(=O)C1=C(O)c2cc3c(cc2S(=O)(=O)N1Cc1ccc2c(c1)OCO2)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 3/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK10 P53779 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CMA1 P23946 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL7342596 0.92 HCRTR2 (0.47) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7337708 0.90 ALDH1A1 (0.54) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7340947 0.89 LMNA (0.46) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7342900 0.82 ALDH1A1 (0.40) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7340169 0.78 ALDH1A1 (0.51) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7829254 0.77 ALDH1A1 (0.56) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7337656 0.76 LMNA (0.44) LMNAMAPK1MAPTALDH1A1L3MBTL1
SCHEMBL7065610 0.76 EDNRB (0.47) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7334097 0.76 HSD11B1 (0.49) SMN1; SMN2LMNAHTTTSHRHSD17B10
SCHEMBL7334174 0.76 ALDH1A1 (0.49) SMN1; SMN2LMNAHTTHSD17B10MAPK1

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-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed