SCHEMBL8553301

SCHEMBL8553301

CCCCOC(C)Oc1ccnc(-c2nc3cc(Cl)ccc3n2SC)c1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 9/20 0.36
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL8552697 0.89 TDP1 (0.38) NPSR1
SCHEMBL8550150 0.88 LMNA (0.34) —
SCHEMBL8552377 0.87 SMN1; SMN2 (0.37) PDE2AKMT2AMEN1
SCHEMBL8552341 0.87 PDE2A (0.33) PDE2A
SCHEMBL8549196 0.84 PDE2A (0.35) PDE2A
SCHEMBL8550106 0.83 PDE2A (0.35) PDE2A
SCHEMBL8553303 0.82 S1PR4 (0.33) PDE2AKMT2A
SCHEMBL8551855 0.81 NLRP3 (0.32) —
SCHEMBL8550783 0.78 USP2 (0.34) —
SCHEMBL8551378 0.77 KDM4E (0.35) NPSR1

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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