SCHEMBL27625018

SCHEMBL27625018

CCC(=O)OS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL27606049 0.89 F10 (0.40) F10PDE10AKDM4ENPC1ALDH1A1
SCHEMBL8348172 0.82 F10 (0.42) F10PDE10AHDAC6
SCHEMBL3865007 0.80 F10 (0.40) F10NPSR1PDE10AKDM4EALDH1A1
SCHEMBL27605913 0.76 CA2 (0.46) F10NPSR1L3MBTL1KDM4ENPC1
SCHEMBL8347891 0.76 L3MBTL1 (0.47) F10NPSR1L3MBTL1NPC1NFKB1
SCHEMBL8346424 0.75 SIRT2 (0.55) NPSR1L3MBTL1PDE10AKDM4ENPC1
SCHEMBL8346380 0.74 GAA (0.50) F10NPSR1L3MBTL1PDE10AKDM4E
SCHEMBL27624772 0.73 F10 (0.41) F10PDE10AKDM4ENPC1ALDH1A1
SCHEMBL3863014 0.73 CSNK2A2 (0.49) F10NPSR1PDE10AKDM4ENPC1
SCHEMBL3861744 0.72 F10 (0.47) F10KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 — — CN disclosed
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