SCHEMBL9710822

SCHEMBL9710822

Cn1c(C#N)c(C#N)n(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
POLB P06746 3/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ELANE P08246 1/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MIF P14174 2/20 0.35

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
SCHEMBL9710787 0.89 GSK3A (0.49) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9710738 0.87 GSK3A (0.44) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9710669 0.86 GSK3A (0.46) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9710800 0.86 GSK3A (0.50) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9710622 0.85 GSK3A (0.49) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9710690 0.85 ELANE (0.41) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9711058 0.84 KDM4E (0.48) GSK3AGSK3BPOLBALDH1A1KDM4E
SCHEMBL9710841 0.83 GSK3B (0.50) GSK3AGSK3BALDH1A1KDM4EHPGD
SCHEMBL9710614 0.83 MAPT (0.42) ALDH1A1KMT2AMEN1LMNARXFP1
SCHEMBL9710917 0.81 TDP2 (0.43) GSK3AGSK3BPOLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed