SCHEMBL3363387

SCHEMBL3363387

O=C(O)Cn1ncc2cc(Cl)ccc21

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.78
ESRRA P11474 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MAPK8 P45983 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL10927590 0.98 KMO (0.76) KMOESRRAHDAC8CYP4F2CYP4A11
SCHEMBL10927597 0.98 KMO (0.76) KMOESRRAHDAC8CYP4F2CYP4A11
SCHEMBL10927577 0.85 KMO (0.62) KMOHDAC8KMT2A
SCHEMBL4329671 0.83 KMO (0.58) KMOCYP4F2CYP4A11
SCHEMBL23320743 0.81 KMO (0.57) KMOHDAC8CYP4F2CYP4A11
SCHEMBL12985644 0.81 KMO (0.56) KMOCYP4F2CYP4A11
SCHEMBL14564403 0.81 KMO (0.57) KMOHDAC8CYP4F2CYP4A11KMT2A
SCHEMBL3365550 0.80 KMO (0.56) KMOMAPK8KMT2A
SCHEMBL19777851 0.80 KMO (0.55) KMOCYP4F2CYP4A11
SCHEMBL38656315 0.78 KMO (0.54) KMOHDAC8KMT2A

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-2010079805-A1 METHOD TO RESTORE MALE STERILITY IN GRAMINEOUS PLANTS AND MALE STERILITY RESTORATIVE AGENT 国立大学法人東北大学 (JP) 2010-07-15 WO disclosed