SCHEMBL30954928

SCHEMBL30954928

CC(C)(C)OC(=O)NC1(C)CN(C(=O)OCc2ccccc2)CC1(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 2/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CTSL P07711 1/20 0.40
KDM1A O60341 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.39
AKT1 P31749 1/20 0.38
PDK1 Q15118 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
SCHEMBL14828963 0.85 SYK (0.46) SYKMEN1KMT2ANPSR1RORC
SCHEMBL27034856 0.81 MEN1 (0.45) MEN1KMT2ANPSR1RORCHTT
SCHEMBL14139668 0.81 KMT2A (0.41) SYKMEN1KMT2ANPSR1RORC
SCHEMBL27929780 0.80 MEN1 (0.44) SYKMEN1KMT2ANPSR1RORC
SCHEMBL27929768 0.80 MEN1 (0.44) SYKMEN1KMT2ANPSR1RORC
SCHEMBL1467693 0.80 MEN1 (0.44) SYKMEN1KMT2ANPSR1RORC
SCHEMBL3978090 0.79 RORC (0.46) SYKMEN1KMT2ANPSR1RORC
SCHEMBL7507956 0.79 MEN1 (0.49) SYKMEN1KMT2ANPSR1HTT
SCHEMBL30954940 0.79 MEN1 (0.43) MEN1KMT2ANPSR1RORCHTT
SCHEMBL3489421 0.78 DPP8 (0.41) SYKMEN1KMT2ANPSR1RORC

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
EP-4626546-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-10-08 EP disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed