SCHEMBL8553022

SCHEMBL8553022

CCOCCOc1ccnc(-c2nc3ccccc3n2[S+](C)[O-])c1C.[Na]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ NCF1 P14598 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL7923747 0.99 KDM4E (0.41) KDM4ENCF1HSD17B10SMN1; SMN2LMNA
SCHEMBL8668983 0.86 MEN1 (0.36) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL8553044 0.86 MAPT (0.32) SMN1; SMN2LMNATSHRMAPTALDH1A1
SCHEMBL8672637 0.86 SMN1; SMN2 (0.37) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL8550788 0.85 RPS6KA5 (0.37) KDM4ENCF1HSD17B10SMN1; SMN2MAPT
SCHEMBL8439253 0.85 MAPT (0.41) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL8550417 0.85 RXRA (0.34) NCF1SMN1; SMN2ALDH1A1HTT
SCHEMBL8633727 0.84 MAPT (0.41) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL8670481 0.84 ALDH1A1 (0.36) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL1559770 0.82 MAPT (0.50) KDM4EHSD17B10LMNARAB9ATSHR

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
US-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 — — US disclosed
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