SCHEMBL13646643

SCHEMBL13646643

CC(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.51
GPR183 P32249 1/20 0.49
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
MAP3K11 Q16584 2/20 0.43
HSD11B1 P28845 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL3153203 0.89 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL13373550 0.87 HPGD (0.58) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL1063453 0.86 L3MBTL1 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL1855882 0.86 HPGD (0.61) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL1855879 0.86 HPGD (0.61) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL29565081 0.86 HPGD (0.61) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL14559800 0.86 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL1063794 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL14559795 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL1065578 0.85 L3MBTL1 (0.59) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed