SCHEMBL27606049

SCHEMBL27606049

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.40
▸ PDE10A Q9Y233 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CHEK2 O96017 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ RHEB Q15382 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
SCHEMBL27625018 0.89 F10 (0.41) F10PDE10AKDM4ENPC1ALDH1A1
SCHEMBL8348172 0.80 F10 (0.42) F10PDE10AHDAC6RHEB
SCHEMBL27624772 0.80 F10 (0.41) F10PDE10AKDM4ENPC1ALDH1A1
SCHEMBL3865007 0.79 F10 (0.40) F10PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3863014 0.74 CSNK2A2 (0.49) F10PDE10AKDM4ENPC1ALDH1A1
SCHEMBL4687144 0.74 F10 (0.40) F10PDE10AKDM4ENPC1ALDH1A1
SCHEMBL8346424 0.72 SIRT2 (0.55) PDE10AKDM4ENPC1ALDH1A1TP53
SCHEMBL3861744 0.71 F10 (0.47) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8346713 0.71 F10 (0.47) F10PDE10AKDM4EALDH1A1TP53
SCHEMBL8347891 0.71 L3MBTL1 (0.47) F10NPC1NFKB1RAB9ANFKB2

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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