SCHEMBL30810403

SCHEMBL30810403

CC(C)(C)OC(=O)NC1CCC(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
KAT6A Q92794 1/20 0.42
KAT5 Q92993 1/20 0.42
DRD2 P14416 5/20 0.41
CCR5 P51681 1/20 0.40
KMT2A Q03164 2/20 0.40
DRD3 P35462 1/20 0.40
EPHX2 P34913 1/20 0.40
BTK Q06187 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNA3 P22001 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
RORC P51449 2/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL31514885 1.00 KDM1A (0.45) KDM1AMAOBKAT6AKAT5DRD2
SCHEMBL29850045 0.86 MAOB (0.46) KDM1AMAOBKAT6AKAT5DRD2
SCHEMBL30939416 0.86 MAOB (0.46) KDM1AMAOBKAT6AKAT5DRD2
SCHEMBL1498297 0.84 RORC (0.47) RORC
SCHEMBL12688377 0.84 RORC (0.47) RORC
SCHEMBL12688439 0.84 RORC (0.47) RORC
SCHEMBL24571611 0.82 MBTD1 (0.52) KMT2AEPHX2
SCHEMBL31619960 0.82 MBTD1 (0.52) KMT2AEPHX2
SCHEMBL29849710 0.79 MAOB (0.44) KDM1AMAOBKAT6AKAT5DRD2
SCHEMBL3846739 0.77 MBTD1 (0.48) DRD2DRD3L3MBTL1CTSBCTSS

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-4543861-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY Nikang Therapeutics, Inc. (US) 2025-04-30 EP disclosed
WO-2023249970-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed