SCHEMBL8694517

SCHEMBL8694517

O=S(=O)(Nc1ncccn1)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 10/20 0.56
▸ EDNRB P24530 7/20 0.56
▸ AURKA O14965 1/20 0.46
▸ DHFR P00374 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ CASP1 P29466 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
SCHEMBL4080551 0.84 AURKA (0.52) AURKADHFRLMNATSHR
SCHEMBL4617033 0.84 ALDH1A1 (0.54) EDNRAEDNRBLMNATSHRCASP1
SCHEMBL8350452 0.79 EDNRA (0.54) EDNRAEDNRBFBP1CASP1
SCHEMBL7404641 0.77 SCN9A (0.53) EDNRAEDNRBFBP1
SCHEMBL30970210 0.77 EDNRA (0.50) EDNRAEDNRB
SCHEMBL1094168 0.76 KDM4E (0.55) EDNRAEDNRBAURKADHFRLMNA
SCHEMBL31681365 0.76 AURKA (0.67) EDNRAEDNRBAURKADHFRLMNA
SCHEMBL3837982 0.76 NFKBIA (0.60) EDNRAAURKADHFRLMNATSHR
SCHEMBL7230668 0.75 EDNRA (0.54) EDNRAEDNRBFBP1CASP1
SCHEMBL10888517 0.75 NFKBIA (0.58) EDNRAAURKADHFRLMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998004260-A1 SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 — — WO claimed
WO-1998004260-A1 SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 — — WO disclosed
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