SCHEMBL2739845

SCHEMBL2739845

CC[C@@H](C)NC[C@@H](N)CN

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL27945759 0.85 ALDH1A1 (0.32) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL14065647 0.79 LMNA (0.34) SMN1; SMN2TDP1
SCHEMBL19091270 0.79 LMNA (0.34) SMN1; SMN2TDP1
SCHEMBL14065648 0.79 LMNA (0.34) SMN1; SMN2TDP1
SCHEMBL11423476 0.78 GABBR2 (0.34) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL14065646 0.77
SCHEMBL13171275 0.77
SCHEMBL22450954 0.76 ALDH1A1 (0.39) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL19091279 0.76
SCHEMBL9806038 0.74

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-1863832-B1 AGE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-01-04 EP disclosed