SCHEMBL7565835

SCHEMBL7565835

COC(=O)c1cc(N)c(Oc2ccccc2OC)c(OCCOC2CCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36

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
SCHEMBL7573991 0.88 NPC1 (0.41) KMT2AMEN1ALDH1A1HPGDKDM4C
SCHEMBL7565509 0.86 ALDH1A1 (0.40) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL7572698 0.86 NPC1 (0.41) KMT2AMEN1ALDH1A1KDM4CNPC1
SCHEMBL7566546 0.83 KDM4C (0.40) KMT2AMEN1ALDH1A1KDM4CNPC1
SCHEMBL7568975 0.82 EDNRA (0.47) ALDH1A1
SCHEMBL7565796 0.82 EDNRA (0.47) KMT2AALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL18424481 0.81 KMT2A (0.48) PDE4BKMT2AMEN1ALDH1A1HPGD
SCHEMBL7568989 0.81 EDNRA (0.56)
SCHEMBL7568663 0.80 EDNRB (0.48) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7573385 0.80 EDNRA (0.36) PDE4BKMT2AMEN1ALDH1A1

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 5 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 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
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 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