SCHEMBL9419610

SCHEMBL9419610

OC[C@H]1O[C@@H](C2(Cl)N=c3cc(Cl)c(Cl)c(Cl)c3=N2)[C@H](O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC5A2 P31639 7/20 0.31
SLC5A1 P13866 2/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PYGM P11217 1/20 0.30

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
SCHEMBL6886933 0.65 PNP (0.33) KDM4EGMNNLMNAMAPTBLM
SCHEMBL26698792 0.58 LGALS1 (0.41) LMNATSHR
SCHEMBL26893427 0.58 LGALS1 (0.41) LMNATSHR
SCHEMBL23705204 0.58 LGALS1 (0.41) LMNATSHR
SCHEMBL851105 0.57 LGALS1 (0.44) SLC5A2
SCHEMBL25867409 0.56 LGALS1 (0.38)
SCHEMBL5444302 0.55 LGALS1 (0.59) LMNATSHR
SCHEMBL5446587 0.55 LGALS1 (0.59) LMNATSHR
SCHEMBL24115372 0.55 LGALS1 (0.59) LMNATSHR
SCHEMBL5444368 0.55 LGALS1 (0.59) LMNATSHR

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
US-5360795-A Treating cytomegalo virus and herpes simplex viruses THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-11-01 US disclosed