SCHEMBL7669905

SCHEMBL7669905

NCCOCCN(c1ccccc1NCCOc1ccc(Cl)cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ CA9 Q16790 3/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SCN1A P35498 2/20 0.33
▸ SCN2A Q99250 2/20 0.33
▸ SCN3A Q9NY46 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7671799 0.87 HTR6 (0.40) HTR6KEAP1NFE2L2MAPTL3MBTL1
SCHEMBL7671944 0.86 NR3C1 (0.37) MAPTALDH1A1CYP2C9DRD2DRD4
Hydrochloric Acid SCHEMBL7671787 0.86 HTR6 (0.40) HTR6KEAP1NFE2L2MAPTL3MBTL1
SCHEMBL7838035 0.86 DRD2 (0.38) MAPTALDH1A1CYP2C9DRD2DRD4
SCHEMBL7671654 0.84 DRD2 (0.38) CA9CA12CA4ALDH1A1CYP2C9
SCHEMBL7667997 0.84 SMN1; SMN2 (0.39) KEAP1NFE2L2CA9MAPTDRD2
SCHEMBL7663037 0.84 DRD2 (0.37) MAPTL3MBTL1ALDH1A1DRD2DRD4
SCHEMBL7672200 0.83 DRD2 (0.36) CA9MAPTL3MBTL1ALDH1A1DRD2
SCHEMBL7667872 0.82 SMN1; SMN2 (0.40) MAPTL3MBTL1ALDH1A1DRD2DRD4
SCHEMBL7663075 0.82 DRD4 (0.39) MAPTALDH1A1CYP2C9DRD2DRD4

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
US-6403607-B1 ANTIULCER Hidaka, Hiroyoshi (JP) 2002-06-11 — — US disclosed
EP-1072587-A1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-01-31 — — EP disclosed
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