SCHEMBL7734855

SCHEMBL7734855

OCCCc1cc(Cl)cc2nc(Cc3c(Cl)cccc3Cl)oc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
MTNR1A P48039 12/20 0.34
MTNR1B P49286 12/20 0.34
AKR1B1 P15121 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PDE7B Q9NP56 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7735189 0.92 GAA (0.36) SIRT2MEN1KMT2A
SCHEMBL7734337 0.88 NLRP3 (0.36) SIRT2MTNR1AMTNR1BAKR1B1
SCHEMBL7735662 0.85 NPC1 (0.42) MEN1KMT2A
SCHEMBL7733875 0.84 LMNA (0.41) SIRT2MTNR1AMTNR1BAKR1B1MEN1
SCHEMBL7734700 0.84 NLRP3 (0.35) MTNR1AMTNR1BAKR1B1
SCHEMBL7734093 0.83 SIRT2 (0.37) SIRT2MTNR1AMTNR1BAKR1B1MEN1
SCHEMBL7734848 0.83 MAPT (0.38) SIRT2AKR1B1MEN1KMT2A
SCHEMBL7735795 0.83 MAPT (0.45) SIRT2MEN1KMT2A
SCHEMBL7734231 0.81 RAB9A (0.40) SIRT2KMT2A
SCHEMBL7734862 0.77 SLC22A12 (0.41) AKR1B1SLC22A12

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed