SCHEMBL6624600

SCHEMBL6624600

CCC(C)N1CCc2c(NC3CCC3)nc3c(C#N)cnn3c21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
HTT P42858 1/20 0.44
CDK2 P24941 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.39
CSNK2A1 P68400 7/20 0.38
GAA P10253 1/20 0.38
BCL6 P41182 2/20 0.37
CSNK2A2 P19784 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
DYRK2 Q92630 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
HIPK3 Q9H422 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL6625051 0.96 KDM4E (0.48) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6628338 0.86 KDM4E (0.50) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6626852 0.86 KDM4E (0.50) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6624845 0.85 KDM4E (0.49) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6626414 0.85 KDM4E (0.48) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL8190638 0.83 MEN1 (0.36) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6624859 0.82 KDM4E (0.53) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6625302 0.82 KDM4E (0.48) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL6626868 0.82 KDM4E (0.49) KDM4EHTTCDK2SMN1; SMN2KMT2A
SCHEMBL9876869 0.82 KDM4E (0.62) KDM4EHTTCDK2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976754-B1 REMEDIES/PREVENTIVES FOR RESPIRATORY DISEASES POLA CHEM IND INC (JP) 2004-07-14 EP disclosed
US-6329382-B1 TREATMENT OF RESPIRATORY DISEASES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-0976754-A1 REMEDIES/PREVENTIVES FOR RESPIRATORY DISEASES POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-02-02 EP disclosed