SCHEMBL4564095

SCHEMBL4564095

CCC1(N(O)Cc2ccccc2)CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
RORC P51449 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
TACR1 P25103 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
HCRTR1 O43613 1/20 0.33
KLK7 P49862 2/20 0.33
KLK5 Q9Y337 1/20 0.33
STS P08842 1/20 0.33
AKT1 P31749 3/20 0.33
RIPK1 Q13546 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CETP P11597 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL22776331 0.79 GAA (0.36) JAK2JAK1RORCGAATHRB
SCHEMBL22776330 0.79 GAA (0.36) JAK2JAK1RORCGAATHRB
SCHEMBL15114603 0.76 ABCB1 (0.37) GPR119
SCHEMBL4980776 0.76 NR1H2 (0.41) RORCGPR119
SCHEMBL29968519 0.76 GAA (0.35) JAK2JAK1RORCGAATHRB
SCHEMBL22776177 0.76 GAA (0.34) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL22776178 0.76 GAA (0.34) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL22776171 0.75 STS (0.34) JAK2JAK1GAATHRBSMN1; SMN2
SCHEMBL4298537 0.72 JAK2 (0.43) JAK2JAK1HSD11B1GPR119HCRTR1
SCHEMBL29359671 0.72 PARP1 (0.41) SMN1; 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
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO disclosed