SCHEMBL7568110

SCHEMBL7568110

COc1cccc(Oc2c(OCC(O)CO)cc(C(=O)Nc3ccccc3)cc2N(S)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.49
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 4/20 0.42
PGR P06401 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL7573714 0.90 TSHR (0.42) EDNRBMAPTLMNATSHRTP53
SCHEMBL7566550 0.90 EDNRB (0.60) EDNRBMAPTLMNASMN1; SMN2NPC1
SCHEMBL7570806 0.84 TP53 (0.39) MAPTTSHRTP53ALDH1A1GAA
SCHEMBL7569202 0.80 EDNRB (0.70) EDNRBMAPTLMNASMN1; SMN2NPC1
SCHEMBL7568104 0.79 EDNRB (0.57) EDNRBMAPTLMNASMN1; SMN2NPC1
SCHEMBL7570877 0.78 EDNRB (0.46) EDNRBMAPTTP53ALDH1A1GAA
SCHEMBL7568255 0.77 EDNRB (0.65) EDNRBMAPTLMNASMN1; SMN2TP53
SCHEMBL7568095 0.77 EDNRB (0.81) EDNRBMAPTLMNASMN1; SMN2NPC1
SCHEMBL7573709 0.70 EDNRB (0.46) EDNRBSMN1; SMN2TSHRALDH1A1MAPK1
SCHEMBL7566571 0.70 EDNRB (0.56) EDNRBMAPTLMNASMN1; SMN2TSHR

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 1 patent. 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