SCHEMBL15569397

SCHEMBL15569397

C=CCOc1c(C)c(C(=O)OCC)nn(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL15569843 0.85 MAPT (0.34) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15569312 0.81 KDM4E (0.41) KDM5BKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15569784 0.78 LMNA (0.32) SMN1; SMN2LMNA
SCHEMBL15568782 0.75 KDM4E (0.43) KDM5BKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15569361 0.74 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL15570066 0.72 ADORA1 (0.45) KDM5BKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17430005 0.72 KDM4E (0.47) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL387677 0.72 SMN1; SMN2 (0.42) KDM5BKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15570276 0.71 KDM4E (0.41) KDM5BKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22900489 0.71 KMT2A (0.46) KDM4ESMN1; SMN2KMT2AMAPTALDH1A1

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