SCHEMBL12209704

SCHEMBL12209704

Nc1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.37
▸ EHMT1 Q9H9B1 9/20 0.35
▸ EHMT2 Q96KQ7 8/20 0.35
▸ GPR6 P46095 2/20 0.35
▸ TNF P01375 2/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ DNMT3A Q9Y6K1 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
SCHEMBL12921314 0.92 PDE4D (0.36) PDE4DEHMT1EHMT2GPR6TNF
SCHEMBL186760 0.92 GPR6 (0.38) PDE4DEHMT1EHMT2GPR6TNF
SCHEMBL8055440 0.92 PDE4D (0.45) PDE4DEHMT1EHMT2GPR6
SCHEMBL12921369 0.92 PDE4D (0.37) PDE4DEHMT1EHMT2DNMT3A
SCHEMBL12209084 0.91 ACACB (0.38) EHMT1EHMT2
SCHEMBL187336 0.91 GPR6 (0.38) PDE4DEHMT1EHMT2GPR6TNF
SCHEMBL12921822 0.90 GPR6 (0.46) PDE4DGPR6
SCHEMBL12921323 0.90 PDE4D (0.36) PDE4DEHMT1EHMT2GPR6TNF
SCHEMBL557917 0.89 EGLN1 (0.40) PDE4DGPR6TNF
SCHEMBL10266742 0.89 EGLN1 (0.40) PDE4DGPR6TNF

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
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
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