SCHEMBL25937382

SCHEMBL25937382

CC(C)(C)OC(=O)NCC(=O)N1CCCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NOTUM Q6P988 1/20 0.46
PDK1 Q15118 2/20 0.46
PDK2 Q15119 2/20 0.46
PDK3 Q15120 2/20 0.46
PDK4 Q16654 2/20 0.46
CTSL P07711 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNQ2 O43526 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM7 Q14831 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL30557646 1.00 BRD4 (0.48) BRD4CREBBPHDAC1HDAC6NOTUM
SCHEMBL25937707 0.87 BRD4 (0.39) BRD4CREBBPHDAC1HDAC6PDK1
SCHEMBL25937726 0.84 DPP8 (0.40) BRD4CREBBPNOTUMMEN1KMT2A
SCHEMBL3103616 0.84 GRM7 (0.57) NOTUMCTSLKDM4EMEN1KMT2A
SCHEMBL30557529 0.84 GRM7 (0.57) NOTUMCTSLKDM4EMEN1KMT2A
SCHEMBL25430562 0.83 HDAC1 (0.55) BRD4CREBBPHDAC1HDAC6NOTUM
SCHEMBL30557580 0.82 KCNQ2 (0.46) CTSLMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL25937545 0.82 KCNQ2 (0.46) CTSLMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL4691685 0.81 NOTUM (0.55) BRD4CREBBPHDAC1HDAC6NOTUM
SCHEMBL31552767 0.81 NOTUM (0.55) BRD4CREBBPHDAC1HDAC6NOTUM

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed