SCHEMBL8468448

SCHEMBL8468448

C=C(CCl)c1cc2c(cc1Cl)NC(=O)C2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.52
AHR P35869 2/20 0.44
CMA1 P23946 1/20 0.44

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
SCHEMBL31210109 0.84 SMYD3 (0.56) SMYD3AHRCMA1
SCHEMBL622063 0.84 SMYD3 (0.56) SMYD3AHRCMA1
SCHEMBL5792436 0.79 SMYD3 (0.52) SMYD3AHRCMA1
SCHEMBL29779539 0.78 SMYD3 (0.56) SMYD3AHRCMA1
SCHEMBL2720180 0.78 SMYD3 (0.56) SMYD3AHRCMA1
SCHEMBL30364069 0.77 SMYD3 (0.59) SMYD3AHRCMA1
SCHEMBL8232914 0.77 SMYD3 (0.52) SMYD3AHRCMA1
SCHEMBL4218125 0.77 SMYD3 (0.52) SMYD3AHRCMA1
Hydrochloric Acid SCHEMBL29779521 0.76 SMYD3 (0.57) SMYD3AHRCMA1
SCHEMBL5441646 0.75 AHR (0.60) SMYD3AHRCMA1

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-1787990-B1 A process for the preparation of ziprasidone DIPHARMA FRANCIS SRL (IT) 2009-10-28 EP disclosed