SCHEMBL10147474

SCHEMBL10147474

CC(C)(C)c1cc(-c2nnc(C(C)(I)I)s2)on1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL10146122 0.89 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10147473 0.84 CNR2 (0.31)
SCHEMBL10147934 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10146130 0.75 MEN1 (0.33)
SCHEMBL13618564 0.74 MEN1 (0.44)
SCHEMBL13618545 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13534490 0.68 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13618722 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13618561 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13618560 0.67 PIK3CG (0.35) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed