SCHEMBL8553294

SCHEMBL8553294

CCC(C)OCCOc1ccnc(-n2c(SC)nc3cc(Cl)ccc32)c1C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 4/20 0.33
▸ PDE2A O00408 2/20 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
SCHEMBL8552692 0.88 TDP1 (0.36) —
SCHEMBL8550147 0.88 — —
SCHEMBL8552372 0.87 PTGS2 (0.36) —
SCHEMBL8549191 0.84 BACE1 (0.30) S1PR4
SCHEMBL8553303 0.79 S1PR4 (0.33) S1PR4PDE2A
SCHEMBL8551852 0.77 NCF1 (0.33) —
SCHEMBL8547164 0.75 TDP1 (0.38) —
SCHEMBL8549202 0.74 BACE1 (0.31) S1PR4
SCHEMBL8550780 0.73 RXRA (0.37) —
SCHEMBL8550107 0.73 BACE1 (0.30) S1PR4

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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