SCHEMBL24292004

SCHEMBL24292004

CC(C)(C)OC(=O)NCCCCCCN/C=C(\C(=N)C(F)(F)F)c1cnc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BRD4 O60885 2/20 0.40
▸ BCHE P06276 1/20 0.39
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL24289853 0.82 MEN1 (0.41) MEN1KMT2A
SCHEMBL24289989 0.81 MEN1 (0.45) MEN1KMT2ABRD4BCHECYP3A4
SCHEMBL24289992 0.78 MEN1 (0.46) MEN1KMT2ABRD4BCHECYP3A4
SCHEMBL24289889 0.75 KDM4E (0.40) MEN1KMT2ABRD4BCHESTK17B
SCHEMBL24291844 0.72 KDM4E (0.40) MEN1KMT2ABRD4CYP3A4
SCHEMBL24292009 0.72 TDP1 (0.50) MEN1KMT2ASTK17BSTK17ACYP3A4
SCHEMBL24289400 0.71 KCNJ11 (0.41) —
SCHEMBL24289835 0.69 BRD4 (0.42) BRD4BCHECYP3A4NPSR1
SCHEMBL24292003 0.68 TDP1 (0.43) MEN1KMT2ANPSR1
SCHEMBL30875492 0.67 BRD4 (0.43) MEN1KMT2ABRD4BCHECYP3A4

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-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
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