SCHEMBL7364474

SCHEMBL7364474

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 7/20 0.74
▸ CA12 O43570 6/20 0.74
▸ CXCR3 P49682 2/20 0.72
▸ TAS2R14 Q9NYV8 3/20 0.65
▸ TP53 P04637 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ CA1 P00915 4/20 0.61
▸ CA2 P00918 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ EPHX2 P34913 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SMN1; SMN2 Q16637 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
SCHEMBL8087744 0.94 CXCR3 (0.71) CA9CA12CXCR3TAS2R14TP53
SCHEMBL8087629 0.85 CA9 (1.00) CA9CA12CXCR3TP53NPSR1
SCHEMBL8090795 0.85 CXCR3 (0.68) CA9CA12CXCR3TAS2R14ALDH1A1
SCHEMBL12863085 0.84 CXCR3 (1.00) CA9CA12CXCR3TAS2R14ALDH1A1
SCHEMBL31337910 0.82 TAS2R14 (0.69) CA9CA12CXCR3TAS2R14ALDH1A1
SCHEMBL9416606 0.81 NPC1 (0.82) CXCR3NPSR1ALDH1A1CA1CA2
SCHEMBL11761142 0.81 NPC1 (0.82) CXCR3NPSR1ALDH1A1CA1CA2
SCHEMBL1169340 0.80 CXCR3 (0.90) CA9CA12CXCR3TAS2R14TP53
SCHEMBL6824910 0.79 CA9 (0.58) CA9CA12CXCR3TP53NPSR1
SCHEMBL1279042 0.79 TAS2R14 (1.00) CA9CA12CXCR3TAS2R14CA2

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
EP-1200397-A1 SULFONAMIDE SUBSTITUTED BENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICAMENTS ELI LILLY AND COMPANY LIMITED (GB) 2002-05-02 — — EP disclosed
WO-2001004087-A1 SULFONAMIDE SUBSTITUTED BENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICAMENTS ELI LILLY AND COMPANY LIMITED (GB) 2001-01-18 — — WO disclosed
EP-1047670-A1 AMINOSULPHONYLBENZAMIDE DERIVATIVES AS MODULATORS OF THE ACTIVITY OF NEURONAL CALCIUM CHANNELS ELI LILLY AND COMPANY LIMITED (GB) 2000-11-02 — — EP disclosed
WO-1999036398-A1 AMINOSULPHONYLBENZAMIDE DERIVATIVES AS MODULATORS OF THE ACTIVITY OF NEURONAL CALCIUM CHANNELS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-22 — — WO disclosed
Send feedback