SCHEMBL7569366

SCHEMBL7569366

C=CCOc1cc(C#N)cc([N+](=O)[O-])c1Oc1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.40
HTT P42858 3/20 0.40
PIN1 Q13526 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESRRA P11474 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
AR P10275 1/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
VCAM1 P19320 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL7566540 0.87 PIN1 (0.41) ALDH1A1HTTPIN1TDP1ESRRA
SCHEMBL7570395 0.81 AR (0.41) ALDH1A1KMT2AMEN1ARMAPT
SCHEMBL7574940 0.75 VCAM1 (0.59) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL6549707 0.75 VCAM1 (0.47) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL7565897 0.74 ALDH1A1 (0.38) L3MBTL1ALDH1A1HTTESRRAKMT2A
SCHEMBL7371195 0.74 VCAM1 (0.54) ALDH1A1HTTTDP1ESRRAMAPT
SCHEMBL1341420 0.74 L3MBTL1 (0.64) L3MBTL1ALDH1A1HTTPIN1TDP1
SCHEMBL7567522 0.73 EDNRA (0.57)
SCHEMBL7670876 0.72 RAB9A (0.51) L3MBTL1ALDH1A1HTTTDP1KMT2A
SCHEMBL28690330 0.70 VCAM1 (0.48) ALDH1A1HTTKMT2AMAPTHPGD

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