SCHEMBL7567648

SCHEMBL7567648

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc4c(c3)OCO4)cc(C(=O)Nc3ccccc3)cc2OCCO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.60
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
LMNA P02545 3/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
EDNRA P25101 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL7569190 0.91 EDNRB (0.47) EDNRBMEN1KMT2AMAPTTSHR
SCHEMBL7567753 0.90 EDNRB (0.71) EDNRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7567991 0.89 TSHR (0.52) EDNRBMEN1KMT2AMAPTNPSR1
SCHEMBL7567454 0.86 EDNRB (0.65) EDNRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7566698 0.85 EDNRB (0.65) EDNRBMEN1KMT2AMAPTNPSR1
SCHEMBL7567975 0.81 EDNRA (0.55) EDNRBMAPTTSHRSMN1; SMN2KDM4E
SCHEMBL7567752 0.80 EDNRB (0.87) EDNRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7567923 0.80 EDNRA (0.52) EDNRBMAPTTSHRKDM4ELMNA
SCHEMBL7569569 0.80 EDNRA (0.52) EDNRBKMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7566496 0.80 EDNRB (0.55) EDNRBMAPTNPSR1TSHRSMN1; SMN2

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
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 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
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