SCHEMBL24945004

SCHEMBL24945004

C/C=C(/C)CN(C)C(=O)NC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
NQO1 P15559 1/20 0.31

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
SCHEMBL5187737 0.75 MCL1 (0.36) NQO1
SCHEMBL9704543 0.75 TDP1 (0.36) NQO1
SCHEMBL10405288 0.74
SCHEMBL25075144 0.71 CHRNB2 (0.33) CYP3A4
SCHEMBL13897445 0.71 TSHR (0.40) NQO1
SCHEMBL9474699 0.71 NQO1 (0.33) CYP3A4NQO1
SCHEMBL19416824 0.69
SCHEMBL968737 0.69
SCHEMBL14466277 0.68
SCHEMBL965496 0.68 CA1 (0.38)

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-2023010119-A1 TREATING CANCERS WITH COMBINATIONS OF PARP INHIBITOR AND ACYLFULVENES LANTERN PHARMA INC. (US) 2023-02-02 WO disclosed