SCHEMBL11024826

SCHEMBL11024826

CC(C)(C)OC(=O)NCC1CCN1C(I)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ACACB O00763 9/20 0.41
ACACA Q13085 7/20 0.41
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17130313 0.80 DRD2 (0.44) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL6221463 0.78 CKS1B (0.43) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL6221470 0.78 CKS1B (0.43) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL21739082 0.78 GFER (0.41) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL28805974 0.76 DRD2 (0.43) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL10682348 0.75 KMT2A (0.51) DRD2CKS1BSKP1SKP2ACACB
SCHEMBL8298777 0.75 CKS1B (0.51) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL5462244 0.74 LMNA (0.56) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL7390418 0.74 LMNA (0.56) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL7391016 0.74 LMNA (0.56) DRD2CKS1BSKP1SKP2KDM4E

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
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed