SCHEMBL1707592

SCHEMBL1707592

CCC(=Cc1cnc(Cl)cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
SIRT6 Q8N6T7 1/20 0.36
NAPRT Q6XQN6 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1707590 1.00 TBXAS1 (0.38) TBXAS1SIRT6NAPRTTDP1KDM4E
SCHEMBL1913983 0.81 TBXAS1 (0.38) TBXAS1KDM4EL3MBTL1
SCHEMBL1706868 0.78 AKR1C3 (0.40) TBXAS1SIRT6NAPRTALDH1A1
SCHEMBL1706870 0.78 AKR1C3 (0.40) TBXAS1SIRT6NAPRTALDH1A1
SCHEMBL12499645 0.77 TBXAS1 (0.50) TBXAS1NAPRTL3MBTL1ALDH1A1
SCHEMBL12499649 0.77 TBXAS1 (0.50) TBXAS1NAPRTL3MBTL1ALDH1A1
SCHEMBL1914012 0.75 TBXAS1 (0.47) TBXAS1TDP1
SCHEMBL1914188 0.74 TBXAS1 (0.38) TBXAS1ALDH1A1
SCHEMBL1969309 0.73 KDM4E (0.41) TBXAS1KDM4EL3MBTL1
SCHEMBL16737458 0.73 KDM4E (0.42) TBXAS1KDM4EL3MBTL1ALDH1A1

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
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed