SCHEMBL8087629

SCHEMBL8087629

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 12/20 1.00
▸ CA12 O43570 11/20 1.00
▸ ALDH1A1 P00352 2/20 0.72
▸ CA1 P00915 7/20 0.70
▸ CA2 P00918 4/20 0.70
▸ RORC P51449 1/20 0.66
▸ CXCR3 P49682 1/20 0.65
▸ TP53 P04637 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ RAB9A P51151 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ SLC22A6 Q4U2R8 1/20 0.62
▸ SLC22A8 Q8TCC7 1/20 0.62
▸ ABCC2 Q92887 1/20 0.62
▸ SLC22A12 Q96S37 1/20 0.62
▸ UGT1A7 Q9HAW7 1/20 0.62
▸ SLC22A11 Q9NSA0 1/20 0.62
▸ POLB P06746 1/20 0.61

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
SCHEMBL7364474 0.85 CA9 (0.74) CA9CA12ALDH1A1CA1CA2
SCHEMBL6825144 0.84 CA9 (0.72) CA9CA12ALDH1A1CA1CA2
SCHEMBL5267617 0.83 CA9 (0.69) CA9CA12ALDH1A1CA1CA2
SCHEMBL27268243 0.80 CA9 (0.77) CA9CA12CA1CA2RAB9A
SCHEMBL28266787 0.80 RORC (1.00) CA9CA12ALDH1A1CA2RORC
SCHEMBL8087744 0.80 CXCR3 (0.71) CA9CA12ALDH1A1CA1CA2
SCHEMBL28266792 0.80 RORC (0.83) CA9CA12ALDH1A1CA2RORC
SCHEMBL12863861 0.79 CXCR3 (0.80) CA9CA12ALDH1A1RORCCXCR3
SCHEMBL4016252 0.79 CA9 (0.78) CA9CA12CA1CA2RAB9A
SCHEMBL21975646 0.79 CA9 (1.00) CA9CA12CA1CA2RAB9A

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-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
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