SCHEMBL6628012

SCHEMBL6628012

CC(C)(C)N1CCc2c(N)nc3c(C#N)cnn3c21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.42
CSNK2A1 P68400 6/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK2 P24941 3/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
KDM4D Q6B0I6 1/20 0.33

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
SCHEMBL6369769 0.87 KDM4E (0.58) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6625221 0.85 KDM4E (0.45) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6624635 0.81 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6625856 0.81 KDM4E (0.53) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6628015 0.79 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6625224 0.79 KDM4E (0.45) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6624998 0.78 KDM4E (0.41) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6624817 0.77 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6627001 0.77 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6622719 0.77 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AGAAHTT

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