SCHEMBL7340947

SCHEMBL7340947

COC(=O)C1=C(O)c2cc(OC)ccc2S(=O)(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.45
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7336002 0.89 SMN1; SMN2 (0.47) LMNASMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL7342596 0.88 HCRTR2 (0.47) LMNASMN1; SMN2HPGDALDH1A1EDNRB
SCHEMBL7337708 0.88 ALDH1A1 (0.54) LMNASMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL7333608 0.83 CHRM5 (0.42) LMNAL3MBTL1ALDH1A1EDNRBEDNRA
SCHEMBL7337436 0.82 GAA (0.55) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL7067033 0.82 EDNRB (0.55) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL7065689 0.80 EDNRB (0.49) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL7340189 0.78 EDNRB (0.40) ALDH1A1EDNRBEDNRAKMT2AMCHR1
SCHEMBL7340169 0.78 ALDH1A1 (0.51) LMNASMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL7829192 0.77 EDNRB (0.51) LMNASMN1; SMN2L3MBTL1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed