SCHEMBL1567510

SCHEMBL1567510

CN1CCN(CCCOc2cccc(CC(=O)NC3CCCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
ROCK1 Q13464 4/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CIT O14578 1/20 0.49
JAK2 O60674 1/20 0.49
FLT3 P36888 1/20 0.49
GSK3B P49841 1/20 0.49
JAK3 P52333 1/20 0.49
ACKR3 P25106 1/20 0.49

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
SCHEMBL5348782 0.81 ROCK1 (0.56) EPHX2ROCK1MEN1KMT2ASIGMAR1
SCHEMBL30768879 0.78 POLB (0.80) EPHX2MEN1KMT2APOLBSIGMAR1
SCHEMBL1567509 0.76 KMT2A (0.51) EPHX2MEN1KMT2AHRH3
SCHEMBL13357664 0.74 HRH3 (0.58) ROCK1MEN1KMT2ASIGMAR1HRH3
SCHEMBL5837135 0.74 ROCK1 (0.62) ROCK1CYP3A4SMN1; SMN2CITJAK2
SCHEMBL13357529 0.73 ROCK1 (0.64) EPHX2ROCK1CYP3A4CITJAK2
SCHEMBL3196780 0.73 ROCK1 (0.73) EPHX2ROCK1CYP3A4CITJAK2
SCHEMBL4256223 0.72 EPHX2 (1.00) EPHX2AURKAAURKB
SCHEMBL6543337 0.72 POLB (0.58) EPHX2MEN1KMT2APOLBSIGMAR1
SCHEMBL13865086 0.72 HRH3 (0.58) EPHX2MEN1KMT2AHRH3SMN1; 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
EP-2307017-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS Cytomics Systems (FR) 2011-04-13 EP disclosed