SCHEMBL16639153

SCHEMBL16639153

O=C(Nc1nc(=O)n(C2CO[C@@H](COC(=O)c3ccccc3)S2)cc1F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
NT5E P21589 2/20 0.35
P2RY6 Q15077 2/20 0.35
P2RY14 Q15391 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DCK P27707 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL13881298 1.00 POLB (0.38) POLBABL1RIN1LMNAKMT2A
SCHEMBL3621139 1.00 POLB (0.38) POLBABL1RIN1LMNAKMT2A
SCHEMBL3621141 1.00 POLB (0.38) POLBABL1RIN1LMNAKMT2A
SCHEMBL3654823 1.00 POLB (0.38) POLBABL1RIN1LMNAKMT2A
SCHEMBL13881205 0.93 LMNA (0.36) POLBABL1RIN1LMNAKMT2A
SCHEMBL13881206 0.93 LMNA (0.36) POLBABL1RIN1LMNAKMT2A
SCHEMBL13881517 0.89 ABL1 (0.41) POLBABL1RIN1LMNAKMT2A
SCHEMBL13881207 0.89 ABL1 (0.41) POLBABL1RIN1LMNAKMT2A
SCHEMBL12995180 0.87 LMNA (0.35) POLBABL1RIN1LMNAKMT2A
SCHEMBL13881305 0.87 LMNA (0.35) POLBABL1RIN1LMNAKMT2A

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-2190839-B1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LTD (AU) 2015-04-15 EP disclosed