SCHEMBL7567798

SCHEMBL7567798

COc1ccccc1Oc1c(OCCO)cc(C(=O)N2CCCCC2)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
HSD17B10 Q99714 2/20 0.48
SCN9A Q15858 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
NPC1 O15118 1/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
DHPS P49366 1/20 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
SCHEMBL7568040 0.91 POLB (0.50) HPGDHSD17B10GAAALDH1A1CYP1A2
SCHEMBL7568212 0.90 ALDH1A1 (0.50) HSD17B10GAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7568899 0.90 ALDH1A1 (0.45) HPGDHSD17B10GAASMN1; SMN2L3MBTL1
SCHEMBL7567810 0.89 HPGD (0.49) HPGDHSD17B10SCN9AGAASMN1; SMN2
SCHEMBL7575562 0.85 SMN1; SMN2 (0.47) HPGDHSD17B10GAASMN1; SMN2L3MBTL1
SCHEMBL7568052 0.80 POLB (0.51) HPGDHSD17B10GAAALDH1A1CYP1A2
SCHEMBL7568230 0.80 ALDH1A1 (0.48) HSD17B10GAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7568912 0.79 ALDH1A1 (0.46) HSD17B10GAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7566655 0.77 EDNRA (0.44) HPGDSMN1; SMN2L3MBTL1ALDH1A1NPC1
SCHEMBL7565963 0.76 EDNRA (0.69) SCN9ADHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
JP-2930731-B2 1999-08-03 JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed