SCHEMBL7565897

SCHEMBL7565897

COc1ccccc1Oc1c(OCCOC2CCCCO2)cc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHEK1 O14757 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 6/20 0.35
HPGD P15428 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 3/20 0.34
RECQL P46063 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
ESRRA P11474 1/20 0.33

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
SCHEMBL7566616 0.89 NPC1 (0.40) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7567982 0.86 NPC1 (0.44) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7565509 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL7568272 0.80 VCAM1 (0.45) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7565514 0.75 HPGD (0.39) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7569366 0.74 L3MBTL1 (0.44) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8444969 0.74 AR (0.34) ALDH1A1SMN1; SMN2CHEK1L3MBTL1LMNA
SCHEMBL7566546 0.73 KDM4C (0.40) ALDH1A1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL2494488 0.73 CHEK1 (0.40) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15509143 0.72 LMNA (0.46) ALDH1A1KMT2ANPC1RAB9ASMN1; 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 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