SCHEMBL7677798

SCHEMBL7677798

O=C(C=Cc1cccnc1)OCC(O)CN1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 19/20 0.59
WDR77 Q9BQA1 19/20 0.59
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL7677794 1.00 PRMT5 (0.59) PRMT5WDR77MEN1PKMKMT2A
SCHEMBL6549677 0.84 ABCB1 (0.52)
SCHEMBL6549673 0.84 ABCB1 (0.52)
Hydrochloric Acid SCHEMBL6549702 0.81 PRMT5 (0.55) PRMT5WDR77MEN1PKMKMT2A
SCHEMBL7683852 0.79 KDM4E (0.56) PRMT5WDR77MEN1KMT2A
SCHEMBL15833548 0.74 PRMT5 (1.00) PRMT5WDR77MEN1PKMKMT2A
SCHEMBL15943991 0.73 PRMT5 (1.00) PRMT5WDR77MEN1PKMKMT2A
SCHEMBL6548351 0.72 ABCB1 (0.67) MEN1KMT2A
SCHEMBL22545807 0.72 PRMT5 (1.00) PRMT5WDR77
SCHEMBL22545816 0.72 PRMT5 (1.00) PRMT5WDR77

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-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US claimed