SCHEMBL28752003

SCHEMBL28752003

CC(C)(C)OC(=O)NCCCCNc1ncc(C(N)=O)cc1S.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50
BRD4 O60885 14/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 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
SCHEMBL22934332 0.99 STK17B (0.51) STK17BSTK17ABRD4MAOAMAOB
SCHEMBL29406468 0.86 STK17B (0.51) STK17BSTK17ABRD4MAOAMAOB
SCHEMBL28751899 0.86 STK17B (0.51) STK17BSTK17ABRD4MAOAMAOB
SCHEMBL28751942 0.85 STK17B (0.50) STK17BSTK17ABRD4MAOAMAOB
SCHEMBL22934340 0.78 BRD4 (0.44) STK17BSTK17ABRD4
SCHEMBL27175710 0.76 STK17B (0.52) STK17BSTK17ABRD4TDP1CA12
SCHEMBL28941703 0.75 STK17B (0.51) STK17BSTK17ABRD4TDP1CA12
SCHEMBL2085774 0.75 STK17B (0.56) STK17BSTK17ABRD4TDP1
SCHEMBL28751937 0.72 STK17B (0.36) STK17BSTK17ABRD4
SCHEMBL28751940 0.72 STK17B (0.36) STK17BSTK17ABRD4

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-114585623-A Bis [ N- ((5-carbamoyl) -1H-benzo [ d ] imidazol-2-yl) pyrazole-5-carboxamide ] derivatives and related compounds as STING (interferon gene stimulator) agonists for the treatment of cancer 梅尔莎纳医疗公司 2022-06-03 CN disclosed