SCHEMBL7868761

SCHEMBL7868761

O=C(O)CCS(=O)(=O)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.64
▸ POLB P06746 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.43
▸ ERN1 O75460 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
SCHEMBL7862207 0.85 FFAR1 (0.57) FFAR1FFAR4HTTNPSR1KDM4E
SCHEMBL7868880 0.83 FFAR1 (0.47) FFAR1POLBKDM4EALDH1A1HAO1
SCHEMBL7867080 0.80 MMP1 (0.49) FFAR1POLBALDH1A1HAO1
SCHEMBL1551270 0.79 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL8446573 0.79 FFAR1 (0.56) FFAR1
SCHEMBL14993421 0.77 FFAR1 (0.52) FFAR1ALDH1A1ERN1
SCHEMBL27965841 0.74 FFAR1 (0.55) FFAR1ERN1
SCHEMBL1001018 0.73 HSD11B1 (0.69) POLBHTTNPSR1KDM4EALDH1A1
SCHEMBL30047851 0.73 FFAR1 (0.62) FFAR1HAO1ERN1
SCHEMBL3648381 0.73 FFAR1 (0.62) FFAR1HAO1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 — — US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 — — EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 — — US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 — — EP disclosed
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