SCHEMBL17461305

SCHEMBL17461305

O=C(O)C1Cc2ccccc2N1I

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.50

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
SCHEMBL1445011 0.80 ACE (0.51) ACE
SCHEMBL5847068 0.79 ACE (0.54) ACE
SCHEMBL5847071 0.79 ACE (0.54) ACE
SCHEMBL27439563 0.79 ACE (0.50) ACE
SCHEMBL8633111 0.79 ACE (0.61) ACE
SCHEMBL10339439 0.79 ACE (0.50) ACE
SCHEMBL29443075 0.79 ACE (0.61) ACE
SCHEMBL4278365 0.79 ACE (0.54) ACE
SCHEMBL27463121 0.79 ACE (0.50) ACE
SCHEMBL27924667 0.79 ACE (0.50) ACE

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-2225236-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 — — EP disclosed
Send feedback