SCHEMBL30448563

SCHEMBL30448563

CC(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(NC(C)CO)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.57
NPSR1 Q6W5P4 1/20 0.42
ENPP2 Q13822 1/20 0.41
IDH2 P48735 1/20 0.39
CA2 P00918 2/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
KDR P35968 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNH P51946 1/20 0.39
MEN1 O00255 1/20 0.38
GPR39 O43194 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL5632031 1.00 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL793178 1.00 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL893019 0.99 KCNH3 (0.56) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL893017 0.90 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL29885454 0.90 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL893015 0.90 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL11618474 0.88 KCNH3 (0.46) KCNH3ENPP2CA2CDK2
SCHEMBL16374878 0.88 KCNH3 (0.46) KCNH3ENPP2CA2CDK2
SCHEMBL168451 0.87 ENPP2 (0.49) ENPP2IDH2CA2CDK2MEN1
SCHEMBL11625123 0.87 ENPP2 (0.49) ENPP2IDH2CA2CDK2MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115011417-B Detergent compositions comprising bacterial mannanases AB酶股份有限公司 2024-09-27 CN disclosed
CN-117904080-A Polypeptides having xanthan degrading activity and nucleotides encoding same 诺维信公司 2024-04-19 CN disclosed
CN-117721095-A Lipase variants and compositions comprising surfactants and lipase variants 诺维信公司 2024-03-19 CN disclosed
CN-116323932-A Protease variants with improved solubility 诺维信公司 2023-06-23 CN disclosed
CN-116286218-A Liquid cleaning compositions comprising protease variants 诺维信公司 2023-06-23 CN disclosed
CN-116240202-A Subtilase variants and polynucleotides encoding same 诺维信公司 2023-06-09 CN disclosed
CN-109863244-B GH9 endoglucanase variants and polynucleotides encoding same 诺维信公司 2023-06-06 CN disclosed