SCHEMBL9018293

SCHEMBL9018293

COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 7/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ P4HTM Q9NXG6 6/20 0.47
▸ FBP1 P09467 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ CCR4 P51679 1/20 0.42
▸ CCR5 P51681 1/20 0.42

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
SCHEMBL9018446 0.87 P4HTM (0.61) P4HTMFBP1EGFR
SCHEMBL8869532 0.85 P4HTM (0.45) P2RY12P4HTMFBP1KMT2AEGFR
SCHEMBL8869602 0.84 ALDH1A1 (0.44) P2RY12P4HTMFBP1KMT2AMEN1
SCHEMBL8868714 0.83 P4HTM (0.45) P2RY12P4HTMFBP1EGFR
SCHEMBL9018459 0.82 KMT2A (0.51) P2RY12FBP1KMT2AMEN1PABPC1
SCHEMBL9018386 0.80 MAPK1 (0.49) MAPK1P4HTMFBP1KMT2AMEN1
SCHEMBL9018344 0.77 P4HTM (0.73) MAPK1P4HTMKMT2AMEN1KDM4E
SCHEMBL8869543 0.77 P4HTM (0.76) MAPK1P4HTMKDM4EL3MBTL1EGFR
SCHEMBL9574696 0.76 KMT2A (0.45) P2RY12FBP1KMT2AMEN1PABPC1
SCHEMBL9018519 0.75 P4HTM (0.80) MAPK1P4HTMKDM4EL3MBTL1EGFR

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
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 — — EP claimed
US-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 — — US disclosed
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