SCHEMBL168924

SCHEMBL168924

CC(C)(C)N(C(=O)O)n1cc(Br)cc1C#N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL25327935 0.69
SCHEMBL29799777 0.68 GAA (0.33) GAASMN1; SMN2
SCHEMBL24035650 0.66 GAA (0.34) GAASMN1; SMN2
SCHEMBL24031578 0.66 GAA (0.34) GAASMN1; SMN2
SCHEMBL279496 0.62
SCHEMBL24031584 0.60 GAA (0.34) GAASMN1; SMN2
SCHEMBL17159484 0.59 ALPL (0.30)
SCHEMBL169535 0.58
SCHEMBL20562547 0.58 TGFBR1 (0.30)
Hydrochloric Acid SCHEMBL276226 0.57

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-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed