SCHEMBL6623692

SCHEMBL6623692

CCOC(=O)c1nc2c(C#N)cnn2c2c1CCN2C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.38
BCL6 P41182 2/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CSNK2A1 P68400 1/20 0.36
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6627867 0.98 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6623531 0.97 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6628127 0.96 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6624748 0.85 BCL6 (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL8188307 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6622522 0.83 BCL6 (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6627418 0.82 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6629334 0.82 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6623982 0.82 BCL6 (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6624483 0.82 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDHTT

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