SCHEMBL16654093

SCHEMBL16654093

CCN1CCN(c2c[c]c([N+](=O)[O-])cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
RAD52 P43351 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
SIRT6 Q8N6T7 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL28891048 0.81 CHRNA7 (0.45) MAPTSMN1; SMN2GAARAD52KDM4E
SCHEMBL5544683 0.81 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL374222 0.78 SIRT6 (0.68) MAPTSMN1; SMN2ALDH1A1LMNASIRT6
SCHEMBL3282015 0.77 POLB (0.54) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL591314 0.77 MAPT (0.45) MAPTSMN1; SMN2GAARAD52KDM4E
SCHEMBL21596383 0.75 GAA (0.62) MAPTSMN1; SMN2GAARAD52KDM4E
SCHEMBL7589840 0.75 GAA (0.53) MAPTSMN1; SMN2GAARAD52KDM4E
SCHEMBL2927491 0.72 GAA (0.55) MAPTSMN1; SMN2GAARAD52KDM4E
SCHEMBL29608091 0.72 MAPT (0.67) MAPTSMN1; SMN2GAARAD52KDM4E
SCHEMBL611726 0.72 MAPT (0.67) MAPTSMN1; SMN2GAARAD52KDM4E

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
EP-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed