SCHEMBL2589386

SCHEMBL2589386

Oc1nc2ncnn2c(O)c1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 11/20 0.53
GAA P10253 2/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2582203 0.86 ENPP1 (0.51) ENPP1GAATSHRMAPK1L3MBTL1
SCHEMBL24129392 0.82 MBOAT4 (0.46) ENPP1
SCHEMBL6715659 0.75 ENPP1 (0.42) ENPP1GAAMAPK1SMN1; SMN2MAPT
SCHEMBL4694580 0.74 ENPP1 (0.53) ENPP1GAATSHRMAPK1L3MBTL1
SCHEMBL868954 0.74 KDM4E (0.49) GAATSHRMAPK1L3MBTL1SMN1; SMN2
SCHEMBL2588776 0.73 ENPP1 (0.53) ENPP1GAATSHRMAPK1L3MBTL1
SCHEMBL10336647 0.73 ENPP1 (0.47) ENPP1GAATSHRMAPK1L3MBTL1
SCHEMBL23925371 0.73 KDM4E (0.48) GAATSHRMAPK1L3MBTL1SMN1; SMN2
SCHEMBL24128962 0.72 ENPP1 (0.53) ENPP1
SCHEMBL3318957 0.71 HTT (0.45) ENPP1GAAMAPK1L3MBTL1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135491-A1 HERBICIDAL AZOLOPYRIMIDINES BASF SE (DE) 2011-11-03 WO disclosed
WO-2011135491-A1 HERBICIDAL AZOLOPYRIMIDINES BASF SE (DE) 2011-11-03 WO disclosed
WO-2011134867-A1 HERBICIDAL AZOLOPYRIMIDINES BASF SE (DE) 2011-11-03 WO disclosed
WO-2011134867-A1 HERBICIDAL AZOLOPYRIMIDINES BASF SE (DE) 2011-11-03 WO disclosed