SCHEMBL28040784

SCHEMBL28040784

CCN1CCN(c2ccc(N=C=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
MAPT P10636 4/20 0.57
RAD52 P43351 3/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GFER P55789 1/20 0.57
CHRNA7 P36544 1/20 0.56
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM1A O60341 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 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
SCHEMBL2895500 0.85 GAA (0.56) GAAMAPTRAD52KDM4ESMN1; SMN2
SCHEMBL14266654 0.83 GAA (0.61) GAAMAPTRAD52KDM4ESMN1; SMN2
SCHEMBL519497 0.83 ALDH1A1 (0.56) GAAMAPTKDM4ESMN1; SMN2GFER
SCHEMBL28954366 0.80 TRIM24 (0.52) GAAMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL6405205 0.79 GAA (0.61) GAAMAPTRAD52KDM4ESMN1; SMN2
SCHEMBL992057 0.79 ALDH1A1 (0.53) GAAMAPTKDM4ESMN1; SMN2GFER
SCHEMBL3047529 0.79 L3MBTL1 (0.53) GAAMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL2717608 0.77 MAPT (0.47) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL4576100 0.77 GAA (0.57) GAAMAPTRAD52KDM4ESMN1; SMN2
SCHEMBL5356967 0.76 ALDH1A1 (0.66) GAAMAPTRAD52KDM4ESMN1; SMN2

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
CN-102459258-B Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives CEPHALON, INC. (US) 2015-11-25 CN disclosed