SCHEMBL25838348

SCHEMBL25838348

C=CCN(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC6 Q9UBN7 2/20 0.34
DPP4 P27487 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL25165313 0.86 HDAC6 (0.33) MEN1KMT2AHDAC6DPP4HDAC1
SCHEMBL6935567 0.85 L3MBTL1 (0.32) MEN1KMT2AHDAC6DPP4HDAC1
SCHEMBL21403608 0.85 L3MBTL1 (0.32) MEN1KMT2AHDAC6DPP4HDAC1
SCHEMBL25165441 0.85 HDAC6 (0.33) MEN1KMT2AHDAC6DPP4HDAC1
SCHEMBL10634002 0.85 L3MBTL1 (0.32) MEN1KMT2AHDAC6DPP4HDAC1
SCHEMBL3247270 0.84 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL21403646 0.83 HDAC6 (0.31) MEN1KMT2AHDAC6DPP4
SCHEMBL22539779 0.83 CA14 (0.33) MEN1KMT2AHDAC6DPP4NPSR1
SCHEMBL3946398 0.83 MEN1 (0.33) MEN1KMT2AHDAC6DPP4NPSR1
SCHEMBL2720340 0.83 HDAC6 (0.33) HDAC6DPP4HDAC1HDAC2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed