SCHEMBL15569610

SCHEMBL15569610

Cc1c(C(=O)C2=C(O)CCCC2=O)nn(C)c(=O)c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15569803 0.76 POLB (0.35) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15568776 0.75 MEN1 (0.33) MEN1KMT2A
SCHEMBL15568598 0.73 ALDH1A1 (0.49) ATML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL15569361 0.71 MEN1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL15569697 0.70 GAA (0.38) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29587221 0.69 SMN1; SMN2 (0.33) ATML3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL15568846 0.66 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20720005 0.66 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15570252 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16739374 0.64 MET (0.36) L3MBTL1SMN1; SMN2ALDH1A1KDM4E

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-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed