SCHEMBL17580484

SCHEMBL17580484

CC(C)(C)OC(=O)N1CCC(c2cc(N)n(C3CCC3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GPR119 Q8TDV5 8/20 0.43
ALDH1A1 P00352 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL18692161 0.87 KDM4E (0.40) KDM4EMAPTTHRBHTTHPGD
SCHEMBL17045555 0.85 PIK3CA (0.42) KDM4EMAPTTHRBHTTGPR119
SCHEMBL17580620 0.82 KDM4E (0.43) KDM4EMAPTTHRBHTTMEN1
SCHEMBL15283360 0.81 KDM4E (0.51) KDM4EMAPTTHRBHTTMEN1
SCHEMBL22505654 0.80 KDM4E (0.47) KDM4EMAPTTHRBGPR119CTSD
SCHEMBL24007611 0.78 STS (0.49) KDM4EMAPTTHRBGPR119CTSD
SCHEMBL13974673 0.78 TP53 (0.57) KDM4EMAPTTHRBMEN1KMT2A
SCHEMBL4477598 0.77 KDM4E (0.52) KDM4EMAPTTHRBHTTMEN1
SCHEMBL12614693 0.77 GPR119 (0.56) KDM4EMAPTTHRBMEN1KMT2A
SCHEMBL6783179 0.77 KDM4E (0.40) KDM4EMAPTTHRBHTTMEN1

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-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed