SCHEMBL18965289

SCHEMBL18965289

CCC(C)Cc1cn(-c2ccc(C(=O)O)cc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.63
▸ MAOB P27338 2/20 0.63
▸ GLA P06280 1/20 0.45
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CA5A P35218 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ NOTUM Q6P988 2/20 0.43
▸ DDX3X O00571 2/20 0.43
▸ MIF P14174 2/20 0.43
▸ CD74 P04233 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL16491147 0.83 MAOA (0.73) MAOAMAOBCA2CA9L3MBTL1
SCHEMBL29828549 0.78 MAOA (0.66) MAOAMAOBDDX3XMIF
SCHEMBL29828653 0.77 P2RX7 (0.67) MAOAMAOBGLACA2CA9
SCHEMBL22532624 0.75 MAOA (0.61) MAOAMAOBGLACA2CA9
SCHEMBL20046238 0.74 MAOA (0.68) MAOAMAOBCA2CA9L3MBTL1
SCHEMBL10447579 0.73 NOTUM (0.54) MAOAGLAL3MBTL1PTGS2NOTUM
SCHEMBL29980293 0.73 MAOA (0.57) MAOAMAOBCA2CA9L3MBTL1
SCHEMBL28935748 0.72 MAOA (0.60) MAOAMAOBCA2CA9L3MBTL1
SCHEMBL22873389 0.72 MAOA (0.64) MAOAMAOBCA2CA9L3MBTL1
Terephthalic Acid SCHEMBL27799191 0.71 MAPT (0.67) CA2CA9CA5ACA12CA1

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
WO-2017100461-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING AN AUXILIARY MOIETY NON-BIOREVERSIBLY LINKED TO AN INTERNUCLEOSIDE PHOSPHATE OR PHOSPHOROTHIOATE SOLSTICE BIOLOGICS, LTD. (IE) 2017-06-15 — — WO disclosed
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