SCHEMBL29242060

SCHEMBL29242060

CC(C)(C)OC(=O)N1CCC1.NC(=O)c1cccnc1Br

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ PARP1 P09874 5/20 0.48
▸ GPR119 Q8TDV5 4/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DTYMK P23919 1/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GRM5 P41594 1/20 0.40

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
SCHEMBL29242116 0.84 POLB (0.54) POLBPARP1GPR119MEN1KMT2A
SCHEMBL29086062 0.81 GPR119 (0.53) POLBPARP1GPR119MEN1KMT2A
SCHEMBL21921216 0.80 POLB (0.55) POLBGPR119KMT2A
SCHEMBL11892882 0.80 POLB (0.60) POLBPARP1GPR119DTYMKCKS1B
SCHEMBL27061355 0.79 POLB (0.54) POLBGPR119DTYMKCKS1BSKP1
SCHEMBL28585097 0.76 GPR119 (0.53) POLBPARP1GPR119MEN1KMT2A
SCHEMBL1379678 0.76 PARP1 (0.56) PARP1MAPT
SCHEMBL30040285 0.76 PARP1 (0.56) PARP1MAPT
SCHEMBL6979526 0.75 POLB (0.52) POLBPARP1GPR119
SCHEMBL7710611 0.75 PTPN2 (0.57) POLBPARP1GPR119KMT2A

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
CN-118271285-A Azetidine-containing amide derivative, preparation method and application thereof 贵州大学 2024-07-02 — — CN disclosed
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