SCHEMBL30711963

SCHEMBL30711963

CC(C)(C)OC(=O)NC1CCN(c2cccc(-c3ccc(C#N)c(F)c3)c2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.48
RET P07949 3/20 0.46
GPR119 Q8TDV5 1/20 0.45
NSD2 O96028 1/20 0.44
SUV39H2 Q9H5I1 4/20 0.43
KCNA3 P22001 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
DRD2 P14416 2/20 0.41
KDM1A O60341 1/20 0.41
TRPA1 O75762 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL26695580 1.00 KDM4D (0.48) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL26695766 0.87 PDCD1 (0.43) PDCD1CD274KDM1A
SCHEMBL29999515 0.86 RET (0.48) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL26695553 0.86 RET (0.48) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL30711965 0.85 KDM4D (0.46) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL26695598 0.85 KDM4D (0.46) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL27441052 0.84 RET (0.46) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL29998882 0.84 RET (0.46) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL5220499 0.82 KDM4D (0.53) KDM4DRETGPR119NSD2SUV39H2
SCHEMBL26695555 0.82 RET (0.48) KDM4DRETGPR119NSD2SUV39H2

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-2023222115-A1 HYDROXYAMIDE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-11-23 WO disclosed