SCHEMBL28116663

SCHEMBL28116663

COc1cc(-c2nc3cccc(S(=O)(=O)c4ccccc4)c3[nH]2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GUSB P08236 1/20 0.44
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL17251750 0.76 MAPT (0.50) KDM4EHPGDHSD17B10MAPTTP53
SCHEMBL28116288 0.76 PARP1 (0.53) USP2MAPTTP53GUSBPARP1
SCHEMBL16017996 0.73 GUSB (0.76) GUSBCDK4CCND1PARP1KMT2A
SCHEMBL7917574 0.73 ALDH1A1 (0.61) KDM4EHPGDUSP2GAAHSD17B10
SCHEMBL28116286 0.72 MAPT (0.43) KDM4EHPGDGAAHSD17B10MAPT
SCHEMBL28027631 0.70 TNKS (0.54) KDM4EHPGDGAAHSD17B10TP53
SCHEMBL28116661 0.70 PARP1 (0.48) KDM4EUSP2GAAMAPTTP53
SCHEMBL8715864 0.69 HTR6 (0.74) KDM4EHPGDUSP2GAAHSD17B10
SCHEMBL16638382 0.69 DHODH (0.70) KDM4EHPGDMAPTGUSBPARP1
SCHEMBL28116302 0.69 CHEK2 (0.42) KDM4EHPGDGAAMAPTTP53

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-104072425-B Benzimidazole compound and application thereof 大连理工大学 2016-12-07 — — CN disclosed
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