SCHEMBL2826417

SCHEMBL2826417

C=C(C)CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
HSD11B1 P28845 1/20 0.45
GPR119 Q8TDV5 4/20 0.40
USP30 Q70CQ3 2/20 0.40
PARP1 P09874 1/20 0.40
STS P08842 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN11 Q06124 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR5 P51681 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3805677 1.00 JAK2 (0.47) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL3805674 1.00 JAK2 (0.47) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2849228 0.93 JAK2 (0.49) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2849224 0.93 JAK2 (0.49) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2845920 0.89 HTR2A (0.40) CCR5NPC1RAB9ASMN1; SMN2
SCHEMBL2845923 0.89 HTR2A (0.40) CCR5NPC1RAB9ASMN1; SMN2
SCHEMBL2850358 0.88 JAK2 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2850359 0.88 JAK2 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2844701 0.87 JAK2 (0.48) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2844705 0.87 JAK2 (0.48) JAK2JAK1HSD11B1GPR119USP30

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-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed