SCHEMBL27363077

SCHEMBL27363077

CC1(C)CC(C)(C)C1NC(=O)c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
CCR1 P32246 1/20 0.36
SMYD3 Q9H7B4 5/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
BDKRB1 P46663 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
BCAT2 O15382 1/20 0.33
ABL1 P00519 1/20 0.33
RORC P51449 1/20 0.33
BACE1 P56817 1/20 0.33
ROCK2 O75116 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27376431 0.81 JUN (0.38) SMYD3
SCHEMBL24031696 0.75 EZH2 (0.42)
SCHEMBL26832626 0.75 SMN1; SMN2 (0.54) KDM4EGAAPOLB
SCHEMBL19132762 0.74 SMYD3 (0.46) CCR1SMYD3KDM4EGAARORC
SCHEMBL24233212 0.73 OGG1 (0.46) POLB
SCHEMBL185580 0.73 SMYD3 (0.54) HCAR2SMYD3RORC
SCHEMBL25059051 0.72 CHRNA7 (0.39) KDM4EGAA
SCHEMBL24031980 0.72 NPC1 (0.50) KDM4EPOLB
SCHEMBL22047308 0.71 CHRNA7 (0.38) SMYD3KDM4EGAAPOLB
SCHEMBL22197853 0.71 SMN1; SMN2 (0.48) KDM4E

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed