SCHEMBL8553044

SCHEMBL8553044

CCC(C)OCCOc1ccnc(-c2nc3ccccc3n2[S+](C)[O-])c1C.[Na]

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPK10 P53779 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL8552061 0.88 — —
SCHEMBL8550107 0.87 BACE1 (0.30) —
SCHEMBL8551649 0.87 — —
SCHEMBL8553963 0.87 TDP1 (0.35) —
SCHEMBL8553022 0.86 KDM4E (0.40) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL8549202 0.86 BACE1 (0.31) —
SCHEMBL8550136 0.86 S1PR1 (0.31) —
SCHEMBL8548824 0.85 TDP1 (0.35) —
SCHEMBL7923747 0.85 KDM4E (0.41) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL8551255 0.85 S1PR1 (0.30) —

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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