SCHEMBL456136

SCHEMBL456136

CCn1c(-c2ccccc2)ncc(C(=O)OCc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9894331 0.84 MAPT (0.56) MAPTKDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL27578928 0.84 KDM4E (0.44) MAPTKDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL11768659 0.82 KDM4E (0.50) MAPTKDM4EL3MBTL1MAPK1SMN1; SMN2
SCHEMBL7960592 0.81 SMN1; SMN2 (0.60) MAPTKDM4EL3MBTL1TSHRMAPK1
SCHEMBL7959390 0.79 KDM4E (0.55) MAPTKDM4EL3MBTL1TSHRMAPK1
SCHEMBL7293735 0.78 KDM4E (0.54) MAPTKDM4EL3MBTL1TSHRMAPK1
SCHEMBL462187 0.77 ALDH1A1 (0.46) MAPTKDM4EMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6558284 0.77 KDM4E (0.53) MAPTKDM4EL3MBTL1TSHRMAPK1
SCHEMBL27457904 0.76 DHODH (0.48) MAPTKDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL454709 0.75 ALDH1A1 (0.44) MAPTKDM4EL3MBTL1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 EP disclosed
WO-2012033548-A2 HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 WO disclosed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 WO disclosed