SCHEMBL5517577

SCHEMBL5517577

CON(C(=O)C1CCC(N)CN1C(=O)OC(C)(C)C)c1ccnc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
POLB P06746 3/20 0.37
GPR119 Q8TDV5 5/20 0.34
MAP4K4 O95819 1/20 0.33
UCHL1 P09936 2/20 0.33
USP30 Q70CQ3 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL633008 0.81 USP30 (0.42) KDM4EPOLBGPR119USP30ALOX5AP
SCHEMBL5775824 0.75 POLB (0.47) POLBGPR119MAP4K4GRM5
SCHEMBL5636825 0.73 JAK1 (0.40) MAP4K4
SCHEMBL5509551 0.71 ALDH1A1 (0.42) POLBGPR119ALOX5APFEN1
SCHEMBL5747116 0.71 POLB (0.41) KDM4EPOLBGPR119MAP4K4GRM5
SCHEMBL5748387 0.71 POLB (0.41) POLBGPR119MAP4K4USP30GRM5
SCHEMBL5748603 0.71 POLB (0.41) KDM4EPOLBGPR119MAP4K4GRM5
SCHEMBL5517583 0.70 KCNH2 (0.44) KDM4EPOLBMAP4K4MEN1KMT2A
SCHEMBL5636179 0.70 KDM4D (0.33) KDM4EMAP4K4
SCHEMBL5260297 0.70 KDM4D (0.33) KDM4EMAP4K4

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-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed