SCHEMBL7946892

SCHEMBL7946892

Cc1cc2c(cc1C(=O)c1sccc1S(=O)(=O)Nc1ccc3nsnc3c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 0.49
▸ EDNRB P24530 17/20 0.49
▸ ABCC3 O15438 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7951402 0.90 EDNRA (0.46) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6314152 0.86 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6313203 0.86 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7949184 0.85 EDNRA (0.50) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6313421 0.83 EDNRA (0.66) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7939795 0.80 EDNRA (0.51) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7046426 0.77 MEN1 (0.61) EDNRAKDM4ENPC1MAPTRAB9A
SCHEMBL6313378 0.77 EDNRA (0.63) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7252032 0.76 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7949358 0.75 EDNRA (0.59) EDNRAEDNRBKDM4ENPC1MAPT

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
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 — — WO disclosed
Send feedback