SCHEMBL8550130

SCHEMBL8550130

CCCCOC(C)Oc1ccnc(-c2nc3cc(C(F)(F)F)ccc3n2[S+](C)[O-])c1C.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CACNA1D Q01668 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ HTR6 P50406 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
SCHEMBL8551253 0.99 PDE2A (0.33) PDE2ACNR2CNR1KDM4ETDP1
SCHEMBL8550106 0.88 PDE2A (0.35) PDE2A
SCHEMBL8553961 0.88 TDP1 (0.34) TDP1
SCHEMBL8548822 0.87 TDP1 (0.35) TDP1
SCHEMBL8549196 0.87 PDE2A (0.35) PDE2A
SCHEMBL8552056 0.87 LMNA (0.31) —
SCHEMBL8551648 0.86 LMNA (0.31) —
SCHEMBL8553039 0.86 SMN1; SMN2 (0.35) PDE2AKDM4E
SCHEMBL8552341 0.85 PDE2A (0.33) PDE2ACNR2CNR1KDM4ETDP1
SCHEMBL8551255 0.82 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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