SCHEMBL24289992

SCHEMBL24289992

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BRD4 O60885 2/20 0.44
▸ BCHE P06276 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL24289989 0.80 MEN1 (0.45) MEN1KMT2ABRD4BCHECYP3A4
SCHEMBL24292004 0.78 MEN1 (0.43) MEN1KMT2ABRD4BCHECYP3A4
SCHEMBL24289632 0.72 DRD2 (0.41) MEN1KMT2ABRD4
SCHEMBL30875380 0.71 BRD4 (0.42) MEN1KMT2ABRD4BCHECYP3A4
SCHEMBL24289376 0.70 BRD4 (0.48) MEN1KMT2ABRD4BCHE
SCHEMBL24291995 0.70 MEN1 (0.44) MEN1KMT2A
SCHEMBL3531115 0.69 CA12 (0.50) BRD4BCHECYP3A4CKS1BSKP1
SCHEMBL6421336 0.69 HDAC1 (0.48) BRD4BCHECYP3A4HDAC3HDAC1
SCHEMBL38658780 0.69 ALDH1A1 (0.57) MEN1KMT2A
SCHEMBL28065953 0.69 ALDH1A1 (0.57) 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-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
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