SCHEMBL7964500

SCHEMBL7964500

C#CCN1C(=O)COc2ccc(N3C(=O)C4CC(O)CCN4C3=O)nc21

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7964502 0.69
SCHEMBL7980643 0.68 TSHR (0.36)
SCHEMBL7964481 0.67 ALDH1A1 (0.31) MEN1KMT2A
SCHEMBL7964514 0.65 TSHR (0.31)
SCHEMBL8858524 0.64 CHRM1 (0.33) MEN1KMT2A
SCHEMBL4088860 0.64 AR (0.38) MEN1KMT2A
SCHEMBL7980627 0.63
SCHEMBL7978010 0.62 DRD2 (0.32)
SCHEMBL8858494 0.59 BRD4 (0.33) MEN1KMT2A
SCHEMBL9378956 0.57 TSHR (0.59) MEN1KMT2A

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-2001030782-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-03 WO disclosed