SCHEMBL7569347

SCHEMBL7569347

C=CCOc1cc(C#N)cc(N)c1Oc1cccc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MYB P10242 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 3/20 0.36
MAPK1 P28482 2/20 0.36
FLT3 P36888 1/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
PDE4A P27815 1/20 0.34

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
SCHEMBL7570395 0.85 AR (0.41) SMN1; SMN2ARALDH1A1KDM4EMEN1
SCHEMBL7566533 0.83 DHPS (0.43) SMN1; SMN2ARALDH1A1KDM4EMEN1
SCHEMBL7566540 0.82 PIN1 (0.41) SMN1; SMN2ARALDH1A1MEN1KMT2A
SCHEMBL7575439 0.74 EDNRB (0.49)
SCHEMBL123591 0.71 MAOB (0.53) ALDH1A1KDM4EMAPTMAPK1TSHR
SCHEMBL6550839 0.70 TRPV4 (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL3954097 0.69 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5640757 0.69 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7573348 0.68 DHPS (0.48) ARMAPTNPSR1TSHRLMNA
SCHEMBL7569366 0.68 L3MBTL1 (0.44) SMN1; SMN2ARALDH1A1MEN1KMT2A

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