SCHEMBL14949540

SCHEMBL14949540

NC(=O)C1CCN(C(=O)CO)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL3402785 0.89 ALDH1A1 (0.56) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL3401952 0.88 GAA (0.55) GAASMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL14978998 0.83 GAA (0.54) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL8271230 0.82 L3MBTL1 (0.45) SMN1; SMN2LMNA
SCHEMBL14009872 0.82 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL14949553 0.82 GAA (0.50) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL20002872 0.80 GAA (0.44) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL3938968 0.79 GAA (0.48) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL2503145 0.78 GAA (0.47) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL16405708 0.77 SMN1; SMN2 (0.47) GAASMN1; SMN2ALDH1A1LMNATDP1

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
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed