SCHEMBL7575577

SCHEMBL7575577

COc1ccccc1Oc1c(N)cc(C(=O)N2CC(C)OC(C)C2)cc1OCCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
DHPS P49366 6/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL7575562 0.90 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKMT2ATDP1
SCHEMBL7568230 0.85 ALDH1A1 (0.48) SMN1; SMN2KMT2ATDP1MEN1HSD17B10
SCHEMBL7567810 0.85 HPGD (0.49) SMN1; SMN2HSD17B10ALDH1A1HPGDDHPS
SCHEMBL7568052 0.84 POLB (0.51) NPC1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL7568912 0.82 ALDH1A1 (0.46) SMN1; SMN2HSD17B10ALDH1A1DHPS
SCHEMBL8444398 0.78 EDNRA (0.48) SMN1; SMN2
SCHEMBL7568270 0.77 EDNRA (0.62)
SCHEMBL7568212 0.75 ALDH1A1 (0.50) SMN1; SMN2KMT2ATDP1MEN1HSD17B10
SCHEMBL7567798 0.74 HPGD (0.48) SMN1; SMN2NPC1HSD17B10ALDH1A1HPGD
SCHEMBL7568040 0.74 POLB (0.50) NPC1KMT2AHSD17B10ALDH1A1HPGD

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