SCHEMBL7566655

SCHEMBL7566655

COc1ccc(Cl)c(Oc2c(OCCO)cc(C(=O)N3CCOCC3)cc2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 3/20 0.42
BTK Q06187 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
PDE4B Q07343 2/20 0.41
POLB P06746 2/20 0.41
F2 P00734 1/20 0.40
FKBP1A P62942 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7566666 0.90 EDNRA (0.45) EDNRARAB9ANPC1L3MBTL1HPGD
SCHEMBL7568212 0.86 ALDH1A1 (0.50) L3MBTL1JAK2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7567778 0.78 EDNRA (0.64) EDNRASMN1; SMN2ALDH1A1
SCHEMBL8444958 0.78 EDNRA (0.42) EDNRARAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL7567798 0.77 HPGD (0.48) NPC1L3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7568230 0.76 ALDH1A1 (0.48) L3MBTL1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7568040 0.76 POLB (0.50) EDNRANPC1BTKHPGDALDH1A1
SCHEMBL7568899 0.74 ALDH1A1 (0.45) L3MBTL1HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL7575562 0.72 SMN1; SMN2 (0.47) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL7567566 0.72 EDNRA (0.54) EDNRAL3MBTL1SMN1; SMN2ALDH1A1KMT2A

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