SCHEMBL5481885

SCHEMBL5481885

NC(=O)C=CC(=O)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ DDAH1 O94760 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ CA1 P00915 11/20 0.61
▸ CA2 P00918 11/20 0.61
▸ CA12 O43570 10/20 0.61
▸ CA9 Q16790 10/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 1/20 0.56

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
SCHEMBL1827416 1.00 MAPT (0.63) MAPTALDH1A1DDAH1HTTCA1
SCHEMBL5175040 0.87 LPAR2 (0.64) MAPTALDH1A1CA1CA2CA12
SCHEMBL5177092 0.87 LPAR2 (0.64) MAPTALDH1A1CA1CA2CA12
SCHEMBL97458 0.87 ALDH1A1 (0.63) MAPTALDH1A1DDAH1HTTCA1
SCHEMBL5481896 0.87 LPAR2 (0.64) MAPTALDH1A1CA1CA2CA12
SCHEMBL2016893 0.87 ALDH1A1 (0.63) MAPTALDH1A1DDAH1HTTCA1
SCHEMBL2429556 0.86 ALDH1A1 (0.81) MAPTALDH1A1DDAH1HTTKMT2A
SCHEMBL5176311 0.83 CA12 (0.62) MAPTALDH1A1CA1CA2CA12
SCHEMBL19559868 0.83 CA12 (0.62) MAPTALDH1A1CA1CA2CA12
SCHEMBL202328 0.79 TGM2 (0.70) CA1CA2CA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300964-B2 Carbon black DEGUSSA AG (DE) 2007-11-27 — — US disclosed
US-20050031528-A1 Carbon black UBS LIMITED (GB) 2005-02-10 — — US disclosed
US-6660075-B2 Having organic groups connected by one or two carbon atoms of a C-C single or double bond that are not part of an aromatic system; reacting with maleic anhydride then hydrolyzing to form carboxylic acid groups DEGUSSA AG (DE) 2003-12-09 — — US disclosed
US-20020096089-A1 Having organic groups connected by one or two carbon atoms of a C-C single or double bond that are not part of an aromatic system; reacting with maleic anhydride then hydrolyzing to form carboxylic acid groups UBS LIMITED (GB) 2002-07-25 — — US disclosed
US-20010032569-A1 Carbon black DEGUSSA AG (DE) 2001-10-25 — — US disclosed
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