SCHEMBL28043174

SCHEMBL28043174

COc1ccc(CN2CCC(C(=O)C=O)C(C(C)=O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SLC18A3 Q16572 6/20 0.48
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.45
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL28257743 0.80 KDM4E (0.68) KDM4EMEN1KMT2AS1PR5
SCHEMBL22863936 0.77 S1PR5 (0.70) KDM4ESLC18A3SIGMAR1MEN1KMT2A
SCHEMBL28046102 0.76 KDM4E (0.47) KDM4ESLC18A3SIGMAR1
SCHEMBL22468572 0.75 KDM4E (0.53) KDM4ESLC18A3SIGMAR1MEN1KMT2A
SCHEMBL13285816 0.75 KDM4E (0.72) KDM4EMEN1KMT2AS1PR5
SCHEMBL22488324 0.75 KDM4E (0.53) KDM4ESLC18A3SIGMAR1MEN1KMT2A
SCHEMBL22864003 0.74 KDM4E (0.52) KDM4ESLC18A3SIGMAR1DRD2S1PR5
SCHEMBL22488321 0.74 ALDH1A1 (0.57) KDM4ESLC18A3SIGMAR1MEN1KMT2A
SCHEMBL22488317 0.74 ALDH1A1 (0.57) KDM4ESLC18A3SIGMAR1MEN1KMT2A
SCHEMBL13650590 0.74 ALDH1A1 (0.57) KDM4ESLC18A3SIGMAR1MEN1KMT2A

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-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed