SCHEMBL8586343

SCHEMBL8586343

OCC1CC(O)C(n2cnc3cc(Cl)c(Cl)cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
PRPS1 P60891 6/20 0.40
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
AHCY P23526 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.32
RHEB Q15382 1/20 0.32
PNP P00491 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL8586347 1.00 THRB (0.41) THRBPRPS1CYP2C9IDO1KCNH2
SCHEMBL9119445 0.80 AHCY (0.57) THRBAHCY
SCHEMBL8525973 0.80 AHCY (0.57) THRBAHCY
SCHEMBL8525972 0.80 AHCY (0.57) THRBAHCY
SCHEMBL9120372 0.80 AHCY (0.57) THRBAHCY
SCHEMBL9120465 0.80 AHCY (0.57) THRBAHCY
SCHEMBL9060965 0.78 IDO1 (0.42) THRBPRPS1CYP2C9IDO1KCNH2
SCHEMBL7616161 0.77 PRPS1 (0.48) THRBPRPS1KCNH2
SCHEMBL7616155 0.77 PRPS1 (0.48) THRBPRPS1KCNH2
SCHEMBL7616152 0.77 PRPS1 (0.48) THRBPRPS1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912356-A HERPES VIRUS GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
EP-0630368-B1 ANTIVIRAL NUCLEOSIDE ANALOGUES WELLCOME FOUND (GB) 1998-09-09 EP disclosed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed