SCHEMBL14366136

SCHEMBL14366136

CC(=N)N1CCC(C(=O)N=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
ALDH1A1 P00352 1/20 0.36
F10 P00742 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL14621736 0.79 CPN1 (0.47) CPN1CPB2F10GAALMNA
SCHEMBL8279747 0.78 LMNA (0.52) CPN1CPB2ALDH1A1GAALMNA
SCHEMBL16716380 0.77 EPHX2 (0.40) ALDH1A1SMN1; SMN2MAPT
SCHEMBL8277480 0.76 GAA (0.55) CPN1CPB2ALDH1A1GAASMN1; SMN2
SCHEMBL10281448 0.75 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10143821 0.73 CPN1 (0.46) CPN1CPB2ALDH1A1F10GAA
SCHEMBL10178373 0.73 SMN1; SMN2 (0.59) CPN1CPB2ALDH1A1GAASMN1; SMN2
SCHEMBL3318797 0.72 CPN1 (0.47) CPN1CPB2ALDH1A1F10MEN1
SCHEMBL14344751 0.72 CPN1 (0.41) CPN1CPB2ALDH1A1GAASMN1; SMN2
SCHEMBL15219739 0.71

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
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed