SCHEMBL8550788

SCHEMBL8550788

CCOCCOc1ccnc(-c2nc3cc(OC)ccc3n2[S+](C)[O-])c1C.[Na]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MET P08581 8/20 0.34
▸ NCF1 P14598 3/20 0.34
▸ MAPT P10636 1/20 0.33
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL8672646 0.88 TLR8 (0.39) RPS6KA5TDP1METMAPK10ALDH1A1
SCHEMBL8553963 0.88 TDP1 (0.35) RPS6KA5TDP1MET
SCHEMBL8548824 0.86 TDP1 (0.35) RPS6KA5TDP1MET
SCHEMBL8550417 0.86 RXRA (0.34) NCF1RXRAPPARGNR1H3ALDH1A1
SCHEMBL8553022 0.85 KDM4E (0.40) KDM4EHSD17B10NCF1MAPTALDH1A1
SCHEMBL7923747 0.84 KDM4E (0.41) KDM4EHSD17B10NCF1MAPTALDH1A1
SCHEMBL8547167 0.82 TDP1 (0.41) RPS6KA5TDP1KDM4EHSD17B10MET
SCHEMBL8550786 0.82 RPS6KA5 (0.36) RPS6KA5TDP1KDM4EMETMAPT
SCHEMBL8548822 0.80 TDP1 (0.35) RPS6KA5TDP1METPRKACARPS6KB1
SCHEMBL8553961 0.80 TDP1 (0.34) RPS6KA5TDP1METCYP3A4

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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